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

C24H25FN4O3 — CID 92738162

IUPAC(6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccccc1F
InChIInChI=1S/C24H25FN4O3/c1-24(23(31)26-16-8-3-2-4-9-16)15-28-20(14-18(27-28)21-12-7-13-32-21)22(30)29(24)19-11-6-5-10-17(19)25/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,26,31)/t24-/m0/s1
InChIKeyJVJJWXFHWACJRT-DEOSSOPVSA-N
MW436.49 g/mol
LogP4.15
Rot. Bonds4

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

(6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738162) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID92738162
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name(6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESC[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccccc1F
InChIInChI=1S/C24H25FN4O3/c1-24(23(31)26-16-8-3-2-4-9-16)15-28-20(14-18(27-28)21-12-7-13-32-21)22(30)29(24)19-11-6-5-10-17(19)25/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,26,31)/t24-/m0/s1
InChIKeyJVJJWXFHWACJRT-DEOSSOPVSA-N
XLogP4.15
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
N-cyclooctyl-5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522198
(6R)-N-cyclohexyl-2-(furan-2-yl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738530
(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
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522202
N-cycloheptyl-5-(3-ethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272579
methyl (6R)-6-(cyclohexylcarbamoyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744612
(6R)-N-cyclohexyl-2-(4-ethoxyphenyl)-5-(2-fluorophenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738974
N-cycloheptyl-5-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 46272587
(6S)-5-[2-(4-chlorophenyl)ethyl]-N-cycloheptyl-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738655

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738162) is (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is C[C@@]1(C(=O)NC2CCCCC2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccccc1F.
What is the InChIKey of (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is JVJJWXFHWACJRT-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-24(23(31)26-16-8-3-2-4-9-16)15-28-20(14-18(27-28)21-12-7-13-32-21)22(30)29(24)19-11-6-5-10-17(19)25/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,26,31)/t24-/m0/s1.
What are the key properties of (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-cyclohexyl-5-(2-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).