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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).