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

C28H28N4O3 — CID 95063184

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

(6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063184) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is (6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95063184
• Molecular Formula: C28H28N4O3
• Molecular Weight: 468.56 g/mol
• Exact Mass: 468.22
• IUPAC Name: (6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccccc2C)cc1
• InChI: InChI=1S/C28H28N4O3/c1-19-10-12-21(13-11-19)17-31-26(33)24-15-23(25-9-6-14-35-25)30-32(24)18-28(31,3)27(34)29-16-22-8-5-4-7-20(22)2/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m0/s1
• InChIKey: WBVGTJNJYILTQI-NDEPHWFRSA-N
• XLogP: 4.49
• 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	468.56
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063184) is (6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(CN2C(=O)c3cc(-c4ccco4)nn3C[C@@]2(C)C(=O)NCc2ccccc2C)cc1.

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

The InChIKey is WBVGTJNJYILTQI-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-19-10-12-21(13-11-19)17-31-26(33)24-15-23(25-9-6-14-35-25)30-32(24)18-28(31,3)27(34)29-16-22-8-5-4-7-20(22)2/h4-15H,16-18H2,1-3H3,(H,29,34)/t28-/m0/s1.

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

(6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-5-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).