Pirodavir
PubChem CID: 71345
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| Compound Synonyms | Pirodavir, 124436-59-5, ethyl 4-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)benzoate, Pirodavirum, R 77975, R77975, Ethyl p-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidyl)ethoxy)benzoate, Pirodavirum [INN-Latin], R-77975, Pirodavir [USAN:INN:BAN], BML697718K, PIRODAVIR [INN], PIRODAVIR [USAN], PIRODAVIR [MART.], CHEMBL298019, (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE, ethyl 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate, Benzoic acid, 4-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidinyl)ethoxy)-, ethyl ester, Benzoic acid, 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]-, ethyl ester, Pirodavirum (INN-Latin), ethyl 4-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}benzoate, PIRODAVIR (MART.), 4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl ester, Pirodavi, UNII-BML697718K, ethyl 4-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidinyl)ethoxy)benzoate, ethyl 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]benzoate, 4-(2-(1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl)-ethoxy)-benzoic acid ethyl ester, MFCD00866965, Pirodavir (USAN/INN), Pirodavir (R 77975), Pirodavir (R 77975)?, SCHEMBL146440, Pirodavir, >=98% (HPLC), DTXSID00869699, EX-A218, KCHIOGFOPPOUJC-UHFFFAOYSA-N, GLXC-03287, ZEA43659, BDBM50087765, ethyl 4-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]benzoate, AKOS025117571, ethyl 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]-ethoxy]benzoate, CS-1348, DB08012, NCGC00378843-02, AC-35837, AS-73886, DA-46799, HY-13784, NS00068304, P2665, D05506, BRD-K22261391-001-01-2, Q27097239, ethyl 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy ]benzoate, 4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl ester (Pirodavir), 4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl ester(Pirodavir), Pirodavir4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl ester |
|---|---|
| Topological Polar Surface Area | 64.599 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 446.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C21H27N3O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KCHIOGFOPPOUJC-UHFFFAOYSA-N |
| Fcsp3 | 0.4761904761904761 |
| Logs | -4.91 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.527 |
| Compound Name | Pirodavir |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 369.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.205 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 369.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2562718888888895 |
| Inchi | InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3 |
| Smiles | CCOC(=O)C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Fruticosum (Plant) Rel Props:Source_db:cmaup_ingredients