Drug Name |
PMID28870136-Compound-65
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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) |
385.5 |
|
Logarithm of the Partition Coefficient (xlogp) |
2.8 |
Rotatable Bond Count (rotbonds) |
3 |
Hydrogen Bond Donor Count (hbonddonor) |
0 |
Hydrogen Bond Acceptor Count (hbondacc) |
4 |
Chemical Identifiers |
- Formula
- C23H23N5O
- IUPAC Name
2-(1-methylpiperidin-4-yl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
- Canonical SMILES
-
CN1CCC(CC1)N2C(=O)C=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5
- InChI
-
InChI=1S/C23H23N5O/c1-26-15-12-18(13-16-26)28-21(29)11-10-19(24-28)22-20-9-5-6-14-27(20)25-23(22)17-7-3-2-4-8-17/h2-11,14,18H,12-13,15-16H2,1H3
- InChIKey
-
YHDRUTMZCJZJAL-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 9821511
- CAS Number
-
- TTD ID
- D0JF6W
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