(2S)-1-(1H-Indol-3-YL)-3-{[5-(3-methyl-1H-indazol-5-YL)pyridin-3-YL]oxy}propan-2-amine
PubChem CID: 10172943
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| Compound Synonyms | A-443654, 552325-16-3, (2s)-1-(1h-Indol-3-Yl)-3-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}propan-2-Amine, (2S)-1-(1H-indol-3-yl)-3-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxypropan-2-amine, Q4UG565ZYH, A 443654, A443654, (S)-1-(1H-Indol-3-yl)-3-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxypropan2-amine, (S)-1-(5-(3-Methyl-1H-indazol-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine, (2S)-1-(1H-INDOL-3-YL)-3-((5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL)OXY)PROPAN-2-AMINE, L20, indazole-pyridine, 4, 5-indazolyl pyridine 3, MLS002232275, SCHEMBL570604, A-4436554, CHEMBL379300, GTPL8204, BDBM15131, CHEBI:91351, DTXSID20436347, GLXC-01992, EX-A7113, AKOS030526845, CS-0405, DB08073, 5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole, NCGC00347278-01, NCGC00347278-02, DA-50065, HY-10425, SMR001307829, A-654, NS00071420, F83982, A 443644, A-443644, A-443654?, Q27074073, Z2037280935, (2S)-1-(1H-indol-3-yl)-3-[[5-(3-methyl-1H-indazol-5-yl)-3-pyridyl]oxy]propan-2-amine, 1H-Indole-3-ethanamine, alpha-[[[5-(3-methyl-1H-indazol-5-yl)-3-pyridinyl]oxy]methyl]-, (alphaS)- |
|---|---|
| Topological Polar Surface Area | 92.6 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P31749, Q15418, O15264, P53778, O96013, O75116, Q9P286, Q9NQU5, O15530, P11309, Q9P1W9, Q86V86, P17612, P31751, P17252, Q05513, Q15139, P51812, P23443, O00141, Q15746, P00523, Q96SB4, Q96GD4, Q9UQB9, Q8IWQ3, Q14012, Q8N5S9, Q96RR4, P78396, O14757, O96017, P48730, P19784, P41240, Q13627, Q92630, O43781, O00418, P27361, P28482, Q8TD08, P49841, P51955, Q9HC98, Q8TDX7, Q16539, Q15759, Q9H2X6, Q9H422, O14920, P45983, P45984, P53779, P06240, P49137, Q16644, P27448, Q14680, Q02750, Q9BUB5, Q9HBH9, O75582, Q13188, P53350, Q8IW41, Q16513, Q9Y243, P00519, P42684, P36896, P25098, P35626, Q9UM73, Q13131, O14965, P51451, P51813, P15056, Q8TDC3, Q06187, Q8IU85, Q9UQM7, Q13554, Q13557, Q16566, Q5VT25, Q9Y5S2, O95067, Q15078, P49759, P49760, P49761, P07333, P48729, P49674, Q9HCP0, P78368, Q9Y6M4, P68400, O43293, Q8N568, Q9Y463, Q9NR20, P00533, P21709, P29317, P29320, P54764, P54756, P29322, P54762, P29323, P54753, P54760, P04626, Q15303, P16591, P07332, P11362, P21802, P22607, P22455, P09769, P17948, P36888, P35916, P42685, P06241, P32298, P34947, P43250, Q8WTQ7, P49840, P08631, Q86Z02, Q8NE63, P08069, P06213, P14616, Q9NWZ3, Q08881, O60674, P52333, P35968, P10721, P06239, P29376, P07948, P36507, P52564, P41279, P80192, Q12851, O95819, Q9Y4K4, Q8IVH8, Q9P0L2, Q7KZI7, P42679, Q12866, P08581, Q8N4C8, Q04912, Q9P289, O15146, Q9H1R3, Q96PY6, P51957, Q8TD19, P04629, Q16620, Q16288, Q13177, O75914, P16234, P09619, Q16816, P15735, Q16512, Q9NYY3, Q9H4B4, P05771, Q05655, Q02156, P05129, P24723, P41743, O94806, Q04759, Q9BZL6, Q13976, Q13237, P51817, Q14289, Q13882, P04049, P07949, Q13464, P08922, Q15349, O75676, Q9UK32, Q9HBY8, Q96BR1, P12931, Q9H3Y6, P78362, Q96PF2, Q9BXA7, Q9UPE1, Q9Y6E0, O00506, Q13043, P43405, Q9UL54, Q9UHD2, Q02763, Q06418, P07947, P43403, Q96RG2, O75164, Q16236, P11473, P39748, P84022, O75496, Q99700, P43220, P01215, Q9NUW8, O75874 |
| Iupac Name | (2S)-1-(1H-indol-3-yl)-3-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxypropan-2-amine |
| Prediction Hob | 1.0 |
| Target Id | NPT728, NPT1430, NPT2546 |
| Xlogp | 3.7 |
| Molecular Formula | C24H23N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWTBGJGMTBHQTM-IBGZPJMESA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.104 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.722 |
| Compound Name | (2S)-1-(1H-Indol-3-YL)-3-{[5-(3-methyl-1H-indazol-5-YL)pyridin-3-YL]oxy}propan-2-amine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 397.19 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 397.19 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 397.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8250884 |
| Inchi | InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1 |
| Smiles | CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OC[C@H](CC4=CNC5=CC=CC=C54)N |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all