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

C28H27FN4O3 — CID 95062972

IUPAC(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)c1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C28H27FN4O3/c1-18(2)20-8-12-22(13-9-20)33-26(34)24-15-23(25-5-4-14-36-25)31-32(24)17-28(33,3)27(35)30-16-19-6-10-21(29)11-7-19/h4-15,18H,16-17H2,1-3H3,(H,30,35)/t28-/m0/s1
InChIKeyHGKDUSQKOHFJKL-NDEPHWFRSA-N
MW486.55 g/mol
LogP5.14
Rot. Bonds6

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

(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062972) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95062972
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC Name(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCC(C)c1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C28H27FN4O3/c1-18(2)20-8-12-22(13-9-20)33-26(34)24-15-23(25-5-4-14-36-25)31-32(24)17-28(33,3)27(35)30-16-19-6-10-21(29)11-7-19/h4-15,18H,16-17H2,1-3H3,(H,30,35)/t28-/m0/s1
InChIKeyHGKDUSQKOHFJKL-NDEPHWFRSA-N
XLogP5.14
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

(6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062881
(6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063015
(6S)-5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062958
2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049424
(6S)-5-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062978
(6S)-5-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062964
(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062943
(6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063214
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
5-(4-ethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049415
(6R)-2-(furan-2-yl)-5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062828
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049507

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95062972) is (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC(C)c1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is HGKDUSQKOHFJKL-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-18(2)20-8-12-22(13-9-20)33-26(34)24-15-23(25-5-4-14-36-25)31-32(24)17-28(33,3)27(35)30-16-19-6-10-21(29)11-7-19/h4-15,18H,16-17H2,1-3H3,(H,30,35)/t28-/m0/s1.
What are the key properties of (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 486.55 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).