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

C27H26N4O3 — CID 95063175

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

(6R)-5-benzyl-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063175) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is (6R)-5-benzyl-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-5-benzyl-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95063175
• Molecular Formula: C27H26N4O3
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.20
• IUPAC Name: (6R)-5-benzyl-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)N1Cc1ccccc1
• InChI: InChI=1S/C27H26N4O3/c1-19-9-6-7-12-21(19)16-28-26(33)27(2)18-31-23(15-22(29-31)24-13-8-14-34-24)25(32)30(27)17-20-10-4-3-5-11-20/h3-15H,16-18H2,1-2H3,(H,28,33)/t27-/m1/s1
• InChIKey: HTULZUKXYHIKET-HHHXNRCGSA-N
• XLogP: 4.18
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6R)-5-benzyl-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063175) is (6R)-5-benzyl-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 (6R)-5-benzyl-2-(furan-2-yl)-6-methyl-N-[(2-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6R)-5-benzyl-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)N1Cc1ccccc1.

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

The InChIKey is HTULZUKXYHIKET-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-19-9-6-7-12-21(19)16-28-26(33)27(2)18-31-23(15-22(29-31)24-13-8-14-34-24)25(32)30(27)17-20-10-4-3-5-11-20/h3-15H,16-18H2,1-2H3,(H,28,33)/t27-/m1/s1.

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

(6R)-5-benzyl-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 454.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-5-benzyl-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 95063175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).