Baricitinib
PubChem CID: 44205240
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| Compound Synonyms | Baricitinib, 1187594-09-7, olumiant, LY3009104, INCB028050, INCB 028050, INCB-028050, 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile, UNII-ISP4442I3Y, LY-3009104, ISP4442I3Y, 1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile, Baricitinib [USAN:INN], LY 3009104, 2-(3-(4-(3H-Pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile, 2-[1-ETHYLSULFONYL-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]AZETIDIN-3-YL]ACETONITRILE, 3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-, CHEBI:95341, DTXSID30152228, LY3009104 (phosphate), INCB028050 (phosphate), Baricitinib [USAN], Baricitinib (LY3009104, INCB028050), baricitinibum, C16H17N7O2S, INCB 28050, Olumiant (TN), (1-(Ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile, {1-(ethylsulfonyl)-3-[4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl]azetidin-3-yl}acetonitrile, 1-(ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-azetidineacetonitrile, 2-(3-(4-(3H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile, 3JW, MFCD21608464, Baricitinib (Standard), BARICITINIB [MI], BARICITINIB [INN], BARICITINIB [JAN], JAK inhibitors: baricitinib, BARICITINIB [WHO-DD], MLS006011247, SCHEMBL871150, Baricitinib (JAN/USAN/INN), Baricitinib (LY3009104), BARICITINIB [EMA EPAR], Baricitinib (INCB028050), GTPL7792, Baricitinib - Bio-X trade mark, CHEMBL2105759, DTXCID5074719, INCB28050, BARICITINIB [ORANGE BOOK], EX-A413, L04AA37, XUZMWHLSFXCVMG-UHFFFAOYSA-N, HMS3651L17, HMS3672M15, HMS3747G21, BCP04686, BDBM50021656, HY-15315R, NSC799357, s2851, AKOS022186127, AKOS025401933, BCP9000380, CCG-268312, CS-0724, DB11817, DS-7641, FE30357, NSC-799357, PB27275, SB10845, SDCCGSBI-0654448.P001, NCGC00345839-01, NCGC00345839-14, NCGC00345839-16, AC-27404, BB184033, DA-50940, HY-15315, SMR004703006, BCP0726000031, NS00072974, SW220096-1, Baricitinib (INCB28050, LY3009104)?, D10308, EN300-24435973, Q4860707, BRD-K53581288-001-02-9, Z2724205326, (1-(Ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)ethanenitrile, 2-[1-(ethanesulfonyl)-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl]acetonitrile, INCB 028050, 1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile, LY 3009104, INCB 028050, 1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]-3-azetidineacetonitrile, LY 3009104 |
|---|---|
| Topological Polar Surface Area | 129.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 678.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile |
| Prediction Hob | 1.0 |
| Target Id | NPT1689, NPT3246, NPT3276, NPT1440 |
| Xlogp | -0.5 |
| Molecular Formula | C16H17N7O2S |
| Prediction Swissadme | 1.0 |
| Inchi Key | XUZMWHLSFXCVMG-UHFFFAOYSA-N |
| Fcsp3 | 0.375 |
| Logs | -3.2 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.054 |
| Compound Name | Baricitinib |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 371.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 371.116 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 371.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9215027384615384 |
| Inchi | InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20) |
| Smiles | CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients