(6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C25H28N4O3 — CID 95063068

IUPAC(6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1C
InChIInChI=1S/C25H28N4O3/c1-16-8-6-11-20(17(16)2)29-23(30)21-14-19(22-12-7-13-32-22)27-28(21)15-25(29,3)24(31)26-18-9-4-5-10-18/h6-8,11-14,18H,4-5,9-10,15H2,1-3H3,(H,26,31)/t25-/m0/s1
InChIKeyBKSVNACXSHBDRM-VWLOTQADSA-N
MW432.52 g/mol
LogP4.24
Rot. Bonds4

About (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063068) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95063068
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name(6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1C
InChIInChI=1S/C25H28N4O3/c1-16-8-6-11-20(17(16)2)29-23(30)21-14-19(22-12-7-13-32-22)27-28(21)15-25(29,3)24(31)26-18-9-4-5-10-18/h6-8,11-14,18H,4-5,9-10,15H2,1-3H3,(H,26,31)/t25-/m0/s1
InChIKeyBKSVNACXSHBDRM-VWLOTQADSA-N
XLogP4.24
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-N-cyclohexyl-5-(2,4-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738522
(6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738162
(6R)-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062999
N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522198
(3R)-N-cyclopentyl-2-(2,3-dimethylphenyl)-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741202
(6R)-N-cyclohexyl-2-(furan-2-yl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738530
5-(2,3-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049473
N-cycloheptyl-5-(3-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272579
(6R)-N-cycloheptyl-5-(4-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738658
5-cyclohexyl-N-cyclooctyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522207
5-(2,3-dimethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049610
N-cycloheptyl-2-(furan-2-yl)-6-methyl-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272565

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063068) is (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NC2CCCC2)c1C.
What is the InChIKey of (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is BKSVNACXSHBDRM-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-8-6-11-20(17(16)2)29-23(30)21-14-19(22-12-7-13-32-22)27-28(21)15-25(29,3)24(31)26-18-9-4-5-10-18/h6-8,11-14,18H,4-5,9-10,15H2,1-3H3,(H,26,31)/t25-/m0/s1.
What are the key properties of (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclopentyl-5-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).