| Drug Name |
US9714230, 12
|
| Synonyms |
SCHEMBL15778399; LKBZHRSAENXIOI-UHFFFAOYSA-N; BDBM263942; US9714230, 12; 2-(5-p-tolyl-1H-pyrazol-1- yl)isonicotinic acid; 2-(5-p-tolyl-1H-pyrazol-1-yl)isonicotinic acid |
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
279.29 |
|
| Logarithm of the Partition Coefficient (xlogp) |
2.7 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
1 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C16H13N3O2
- IUPAC Name
2-[5-(4-methylphenyl)pyrazol-1-yl]pyridine-4-carboxylic acid - Canonical SMILES
-
CC1=CC=C(C=C1)C2=CC=NN2C3=NC=CC(=C3)C(=O)O
- InChI
-
InChI=1S/C16H13N3O2/c1-11-2-4-12(5-3-11)14-7-9-18-19(14)15-10-13(16(20)21)6-8-17-15/h2-10H,1H3,(H,20,21)
- InChIKey
-
LKBZHRSAENXIOI-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 76901247
- TTD ID
- D03TKM
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