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Summary Geometry Related PDB entries

I5B

Summary

Name:	(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone
Formula:	C19 H21 N5 O2
Formal charge:	0
Formula weight:	351.402 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(5-methoxy-6-pyridin-4-yl-1~{H}-indazol-3-yl)-(4-methylpiperazin-1-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H21N5O2/c1-23-7-9-24(10-8-23)19(25)18-15-12-17(26-2)14(11-16(15)21-22-18)13-3-5-20-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,21,22)
InChIKey	InChI	1.06	IOMWELPPYPWWGO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1cc2c([nH]nc2C(=O)N3CCN(C)CC3)cc1c4ccncc4
SMILES	CACTVS	3.385	COc1cc2c([nH]nc2C(=O)N3CCN(C)CC3)cc1c4ccncc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC
SMILES	OpenEye OEToolkits	2.0.7	CN1CCN(CC1)C(=O)c2c3cc(c(cc3[nH]n2)c4ccncc4)OC

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