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Summary Geometry Related PDB entries

SW8

Summary

Name:	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
Formula:	C22 H22 F N5
Formal charge:	0
Formula weight:	375.442 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-[(3-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C22H22FN5/c23-19-3-1-2-15(9-19)8-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-4-6-24-7-5-20/h1-3,9-14,20,24H,4-8H2,(H,25,26)
InChIKey	InChI	1.03	LNDZMYHGWLSAGJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1cccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)c1
SMILES	CACTVS	3.385	Fc1cccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)F)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5

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