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Summary Geometry Related PDB entries

JFG

Summary

Name:	3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide
Formula:	C21 H18 N4 O
Formal charge:	0
Formula weight:	342.394 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-carboxamide
OpenEye OEToolkits	2.0.7	3,6-dimethyl-~{N}-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyridine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccc(C)nc1C(=O)Nc1cn2nc(cc2cc1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C21H18N4O/c1-14-8-9-15(2)22-20(14)21(26)23-17-10-11-18-12-19(24-25(18)13-17)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26)
InChIKey	InChI	1.03	SGINYCKQAHKPGN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1ccc(C)c(n1)C(=O)Nc2ccc3cc(nn3c2)c4ccccc4
SMILES	CACTVS	3.385	Cc1ccc(C)c(n1)C(=O)Nc2ccc3cc(nn3c2)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(nc1C(=O)Nc2ccc3cc(nn3c2)c4ccccc4)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(nc1C(=O)Nc2ccc3cc(nn3c2)c4ccccc4)C

222415

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