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

C27H25FN4O3 — CID 95063198

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

(6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063198) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95063198
• Molecular Formula: C27H25FN4O3
• Molecular Weight: 472.52 g/mol
• Exact Mass: 472.19
• IUPAC Name: (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1F
• InChI: InChI=1S/C27H25FN4O3/c1-18-8-3-4-9-19(18)15-29-26(34)27(2)17-32-23(14-22(30-32)24-12-7-13-35-24)25(33)31(27)16-20-10-5-6-11-21(20)28/h3-14H,15-17H2,1-2H3,(H,29,34)/t27-/m0/s1
• InChIKey: CFASVZFQMWSRFL-MHZLTWQESA-N
• XLogP: 4.32
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.52
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063198) is (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccccc1CNC(=O)[C@]1(C)Cn2nc(-c3ccco3)cc2C(=O)N1Cc1ccccc1F.

What is the InChIKey of (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is CFASVZFQMWSRFL-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-18-8-3-4-9-19(18)15-29-26(34)27(2)17-32-23(14-22(30-32)24-12-7-13-35-24)25(33)31(27)16-20-10-5-6-11-21(20)28/h3-14H,15-17H2,1-2H3,(H,29,34)/t27-/m0/s1.

What are the key properties of (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-5-[(2-fluorophenyl)methyl]-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).