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

C25H20ClFN4O3 — CID 95062881

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

(6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062881) has the molecular formula C25H20ClFN4O3 and a molecular weight of 478.91 g/mol. Its IUPAC name is (6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95062881
• Molecular Formula: C25H20ClFN4O3
• Molecular Weight: 478.91 g/mol
• Exact Mass: 478.12
• IUPAC Name: (6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1
• InChI: InChI=1S/C25H20ClFN4O3/c1-25(24(33)28-14-16-4-6-17(26)7-5-16)15-30-21(13-20(29-30)22-3-2-12-34-22)23(32)31(25)19-10-8-18(27)9-11-19/h2-13H,14-15H2,1H3,(H,28,33)/t25-/m0/s1
• InChIKey: OKFCIUDLTUAJTA-VWLOTQADSA-N
• XLogP: 4.67
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.91
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

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

The canonical SMILES for (6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is C[C@@]1(C(=O)NCc2ccc(Cl)cc2)Cn2nc(-c3ccco3)cc2C(=O)N1c1ccc(F)cc1.

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

The InChIKey is OKFCIUDLTUAJTA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H20ClFN4O3/c1-25(24(33)28-14-16-4-6-17(26)7-5-16)15-30-21(13-20(29-30)22-3-2-12-34-22)23(32)31(25)19-10-8-18(27)9-11-19/h2-13H,14-15H2,1H3,(H,28,33)/t25-/m0/s1.

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

(6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 478.91 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)-2-(furan-2-yl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).