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Summary Geometry Related PDB entries

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Summary

Name:	6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C21 H22 N6 O
Formal charge:	0
Formula weight:	374.439 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C21H22N6O/c1-12(2)27-20-17(10-22-27)16(9-19(24-20)13-4-5-13)21(28)23-15-6-7-18-14(8-15)11-26(3)25-18/h6-13H,4-5H2,1-3H3,(H,23,28)
InChIKey	InChI	1.06	OYSDMQAUXHHEFN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4nn(C)cc4c3)C5CC5
SMILES	CACTVS	3.385	CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4nn(C)cc4c3)C5CC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)cn(n5)C
SMILES	OpenEye OEToolkits	2.0.7	CC(C)n1c2c(cn1)c(cc(n2)C3CC3)C(=O)Nc4ccc5c(c4)cn(n5)C

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