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

C27H25FN4O3 — CID 95063214

IUPAC(6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C27H25FN4O3/c1-3-18-9-11-21(12-10-18)32-25(33)23-15-22(24-8-5-13-35-24)30-31(23)17-27(32,2)26(34)29-16-19-6-4-7-20(28)14-19/h4-15H,3,16-17H2,1-2H3,(H,29,34)/t27-/m0/s1
InChIKeyMCGGTWGEPKQGTO-MHZLTWQESA-N
MW472.52 g/mol
LogP4.58
Rot. Bonds6

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

(6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063214) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is (6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID95063214
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC Name(6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2cccc(F)c2)cc1
InChIInChI=1S/C27H25FN4O3/c1-3-18-9-11-21(12-10-18)32-25(33)23-15-22(24-8-5-13-35-24)30-31(23)17-27(32,2)26(34)29-16-19-6-4-7-20(28)14-19/h4-15H,3,16-17H2,1-2H3,(H,29,34)/t27-/m0/s1
InChIKeyMCGGTWGEPKQGTO-MHZLTWQESA-N
XLogP4.58
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
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
(6S)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-5-(2-methylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063218
(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
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
(6S)-5-(3-ethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063016
(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
(6R)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-5-(2-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95063224
(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
5-(3-ethylphenyl)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049425
(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
5-(3,5-dimethylphenyl)-2-(furan-2-yl)-6-methyl-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049460

Frequently Asked Questions

What is the IUPAC name of (6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of (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) is (6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for (6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for (6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCc1ccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2cccc(F)c2)cc1.
What is the InChIKey of (6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is MCGGTWGEPKQGTO-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-3-18-9-11-21(12-10-18)32-25(33)23-15-22(24-8-5-13-35-24)30-31(23)17-27(32,2)26(34)29-16-19-6-4-7-20(28)14-19/h4-15H,3,16-17H2,1-2H3,(H,29,34)/t27-/m0/s1.
What are the key properties of (6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
(6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-(4-ethylphenyl)-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).