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Summary Geometry Related PDB entries

U96

Summary

Name:	3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one
Formula:	C23 H20 N6 O
Formal charge:	0
Formula weight:	396.445 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H20N6O/c1-13-3-7-17(11-24-13)29-22-20(25-26-21(22)14-4-5-14)10-18(23(29)30)15-6-8-19-16(9-15)12-28(2)27-19/h3,6-12,14H,4-5H2,1-2H3,(H,25,26)
InChIKey	InChI	1.06	FXFWSZOXZYQPQZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(C)nc6
SMILES	CACTVS	3.385	Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(C)nc6
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccc(cn1)N2c3c(n[nH]c3C4CC4)C=C(C2=O)c5ccc6c(c5)cn(n6)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(cn1)N2c3c(n[nH]c3C4CC4)C=C(C2=O)c5ccc6c(c5)cn(n6)C

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