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Summary Geometry Related PDB entries

460

Summary

Name:	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
Synonyms:	NAPHTHYRIDINE INHIBITOR
Formula:	C17 H15 N5
Formal charge:	0
Formula weight:	289.335 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine
OpenEye OEToolkits	1.5.0	2-[3-(6-methylpyridin-2-yl)-2,5-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C
SMILES_CANONICAL	CACTVS	3.341	Cc1cccc(n1)C2=C(CNN2)c3ccc4ncccc4n3
SMILES	CACTVS	3.341	Cc1cccc(n1)C2=C(CNN2)c3ccc4ncccc4n3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(n1)C2=C(CNN2)c3ccc4c(n3)cccn4
InChI	InChI	1.03	InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3
InChIKey	InChI	1.03	YRBHUKMLAGQYHS-UHFFFAOYSA-N

221716

PDB entries from 2024-06-26

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