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Summary Geometry Related PDB entries

7IH

Summary

Name:	N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide
Formula:	C18 H21 N5 O2
Formal charge:	0
Formula weight:	339.392 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide
OpenEye OEToolkits	2.0.7	~{N}-[4-[(7~{R})-4-oxidanylidene-7-propan-2-yl-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl]cyclopropanecarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)C1CNC(=O)c2cc(nn12)c1ccnc(NC(=O)C2CC2)c1
InChI	InChI	1.03	InChI=1S/C18H21N5O2/c1-10(2)15-9-20-18(25)14-8-13(22-23(14)15)12-5-6-19-16(7-12)21-17(24)11-3-4-11/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,25)(H,19,21,24)/t15-/m0/s1
InChIKey	InChI	1.03	WBVXVMNKRUXMBF-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)[C@@H]1CNC(=O)c2cc(nn12)c3ccnc(NC(=O)C4CC4)c3
SMILES	CACTVS	3.385	CC(C)[CH]1CNC(=O)c2cc(nn12)c3ccnc(NC(=O)C4CC4)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)[C@@H]1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4

223532

PDB entries from 2024-08-07

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