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Summary Geometry Related PDB entries

A1LZF

Summary

Name:	2-{[(3S)-1-benzylpyrrolidin-3-yl]methyl}-5-methyl-7-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-one
Formula:	C23 H26 N6 O
Formal charge:	0
Formula weight:	402.492 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	5-methyl-7-(1-methylpyrazol-3-yl)-2-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H26N6O/c1-26-15-19(21-9-10-27(2)24-21)22-20(23(26)30)16-29(25-22)14-18-8-11-28(13-18)12-17-6-4-3-5-7-17/h3-7,9-10,15-16,18H,8,11-14H2,1-2H3/t18-/m0/s1
InChIKey	InChI	1.06	VXGZVULSEFHJSP-SFHVURJKSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1ccc(n1)C2=CN(C)C(=O)c3cn(C[C@H]4CCN(C4)Cc5ccccc5)nc23
SMILES	CACTVS	3.385	Cn1ccc(n1)C2=CN(C)C(=O)c3cn(C[CH]4CCN(C4)Cc5ccccc5)nc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)C[C@H]4CCN(C4)Cc5ccccc5)C
SMILES	OpenEye OEToolkits	2.0.7	Cn1ccc(n1)C2=CN(C(=O)c3c2nn(c3)CC4CCN(C4)Cc5ccccc5)C

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