7IH

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

Created:	2021-08-12
Last modified:	2021-11-24

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1 entries where 7IH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	1
Bond Count	49
Aromatic Bond Count	11

2D diagram of 7IH

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Chemical Component 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
Systematic Name (OpenEye OEToolkits)	~{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
Formula	C₁₈ H₂₁ N₅ O₂
Molecular Weight	339.392
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)C1CNC(=O)c2cc(nn12)c1ccnc(NC(=O)C2CC2)c1
SMILES	CACTVS	3.385	CC(C)[CH]1CNC(=O)c2cc(nn12)c3ccnc(NC(=O)C4CC4)c3
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4
Canonical SMILES	CACTVS	3.385	CC(C)[C@@H]1CNC(=O)c2cc(nn12)c3ccnc(NC(=O)C4CC4)c3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)[C@@H]1CNC(=O)c2n1nc(c2)c3ccnc(c3)NC(=O)C4CC4
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

Related Resource References

Resource Name	Reference
PubChem	157049302

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