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Summary Geometry Related PDB entries

ODJ

Summary

Name:	N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
Formula:	C25 H22 N6 O3
Formal charge:	0
Formula weight:	454.481 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[4-[(6-methoxypyrazolo[1,5-a]pyridin-3-yl)carbonylamino]-3-methyl-phenyl]-1-methyl-indazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4cc5c(C(Nc3ccc(NC(c2c1ccc(cn1nc2)OC)=O)c(C)c3)=O)nn(C)c5cc4
InChI	InChI	1.03	InChI=1S/C25H22N6O3/c1-15-12-16(27-25(33)23-18-6-4-5-7-21(18)30(2)29-23)8-10-20(15)28-24(32)19-13-26-31-14-17(34-3)9-11-22(19)31/h4-14H,1-3H3,(H,27,33)(H,28,32)
InChIKey	InChI	1.03	LXWXQRLCBZDGSZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2n(c1)ncc2C(=O)Nc3ccc(NC(=O)c4nn(C)c5ccccc45)cc3C
SMILES	CACTVS	3.385	COc1ccc2n(c1)ncc2C(=O)Nc3ccc(NC(=O)c4nn(C)c5ccccc45)cc3C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1NC(=O)c2cnn3c2ccc(c3)OC)NC(=O)c4c5ccccc5n(n4)C

248636

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