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

C26H23FN4O4 — CID 95062943

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

(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95062943) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95062943
• Molecular Formula: C26H23FN4O4
• Molecular Weight: 474.49 g/mol
• Exact Mass: 474.17
• IUPAC Name: (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)c1
• InChI: InChI=1S/C26H23FN4O4/c1-26(25(33)28-15-17-8-10-18(27)11-9-17)16-30-22(14-21(29-30)23-7-4-12-35-23)24(32)31(26)19-5-3-6-20(13-19)34-2/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m0/s1
• InChIKey: MRQGZDYTQSMXMN-SANMLTNESA-N
• XLogP: 4.03
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.49
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (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) is (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cccc(N2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccc(F)cc2)c1.

What is the InChIKey of (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is MRQGZDYTQSMXMN-SANMLTNESA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-26(25(33)28-15-17-8-10-18(27)11-9-17)16-30-22(14-21(29-30)23-7-4-12-35-23)24(32)31(26)19-5-3-6-20(13-19)34-2/h3-14H,15-16H2,1-2H3,(H,28,33)/t26-/m0/s1.

What are the key properties of (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(4-fluorophenyl)methyl]-2-(furan-2-yl)-5-(3-methoxyphenyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95062943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).