1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide

C21H19N7O2 — CID 90206413

IUPAC1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
SMILESO=Nc1cc(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n(C2CCCC2)n1
InChIInChI=1S/C21H19N7O2/c29-20(17-12-19(26-30)25-28(17)15-8-4-5-9-15)23-18-10-11-27-13-16(22-21(27)24-18)14-6-2-1-3-7-14/h1-3,6-7,10-13,15H,4-5,8-9H2,(H,22,23,24,29)
InChIKeyGMJVDAWUCGIEQB-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.36
Rot. Bonds5

About 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide

1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide (PubChem CID 90206413) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
PubChem CID90206413
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
SMILESO=Nc1cc(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n(C2CCCC2)n1
InChIInChI=1S/C21H19N7O2/c29-20(17-12-19(26-30)25-28(17)15-8-4-5-9-15)23-18-10-11-27-13-16(22-21(27)24-18)14-6-2-1-3-7-14/h1-3,6-7,10-13,15H,4-5,8-9H2,(H,22,23,24,29)
InChIKeyGMJVDAWUCGIEQB-UHFFFAOYSA-N
XLogP4.36
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclopentyl-3-nitrosopyrazole-5-carboxylic acid
CID 145428197
4-bromo-1-methyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide
CID 67388568
1-methyl-4-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-3-carboxylic acid
CID 67391783
2-chloro-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 53466934
4-bromo-3,6-dimethyl-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyridine-2-carboxamide
CID 67384270
4-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-5-N-propyl-2H-triazole-4,5-dicarboxamide
CID 67388723
ethyl 1-ethyl-3-[(2-phenylimidazo[1,2-a]pyrimidin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 67388015
1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-(1-pyridin-3-ylethyl)pyrazole-4,5-dicarboxamide
CID 67392157
4-N-(2-hydroxypropyl)-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 58446793
5-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 71245150
3-diazenyl-2-imino-N-(oxetan-3-yl)-N'-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)butanediamide
CID 123677698
4-N,1-dimethyl-4-N-(2-methylpropyl)-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67384242

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide (CID 90206413) is 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide is O=Nc1cc(C(=O)Nc2ccn3cc(-c4ccccc4)nc3n2)n(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
The InChIKey is GMJVDAWUCGIEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c29-20(17-12-19(26-30)25-28(17)15-8-4-5-9-15)23-18-10-11-27-13-16(22-21(27)24-18)14-6-2-1-3-7-14/h1-3,6-7,10-13,15H,4-5,8-9H2,(H,22,23,24,29).
What are the key properties of 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide?
1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-nitroso-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90206413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).