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Summary Geometry Related PDB entries

IO4

Summary

Name:	(8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
Formula:	C19 H13 Cl N4 O
Formal charge:	0
Formula weight:	348.786 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(8S)-N-(2-chloropyridin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-(2-chloranylpyridin-4-yl)-2-phenyl-pyrazolo[1,5-a]pyridine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1nccc(c1)NC(=O)c1cn2nc(cc2cc1)c1ccccc1
InChI	InChI	1.03	InChI=1S/C19H13ClN4O/c20-18-10-15(8-9-21-18)22-19(25)14-6-7-16-11-17(23-24(16)12-14)13-4-2-1-3-5-13/h1-12H,(H,21,22,25)
InChIKey	InChI	1.03	DPLIZFKHTDLAGO-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cc(NC(=O)c2ccc3cc(nn3c2)c4ccccc4)ccn1
SMILES	CACTVS	3.385	Clc1cc(NC(=O)c2ccc3cc(nn3c2)c4ccccc4)ccn1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc3ccc(cn3n2)C(=O)Nc4ccnc(c4)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2cc3ccc(cn3n2)C(=O)Nc4ccnc(c4)Cl

219869

PDB entries from 2024-05-15

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