Drug Name |
Pyridine derivative 14
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Synonyms |
PMID28067079-Compound-74 |
Drug Type |
Small molecular drug
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
328.4 |
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Logarithm of the Partition Coefficient (xlogp) |
3 |
Rotatable Bond Count (rotbonds) |
4 |
Hydrogen Bond Donor Count (hbonddonor) |
0 |
Hydrogen Bond Acceptor Count (hbondacc) |
5 |
Chemical Identifiers |
- Formula
- C20H16N4O
- IUPAC Name
4-[(4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)oxymethyl]benzonitrile
- Canonical SMILES
-
C1CC2=C(C1)N=C(C=C2C3=CN=CN=C3)OCC4=CC=C(C=C4)C#N
- InChI
-
InChI=1S/C20H16N4O/c21-9-14-4-6-15(7-5-14)12-25-20-8-18(16-10-22-13-23-11-16)17-2-1-3-19(17)24-20/h4-8,10-11,13H,1-3,12H2
- InChIKey
-
CZFKXGVEBISLMB-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 73335671
- TTD ID
- D0V3SA
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