(6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H38N6O3 — CID 92744295

About (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92744295) has the molecular formula C28H38N6O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92744295
• Molecular Formula: C28H38N6O3
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.30
• IUPAC Name: (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCN1C(=O)c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C28H38N6O3/c1-5-33-26(36)24-17-22(30-34(24)18-28(33,4)27(37)29-21-8-6-7-9-21)25(35)32-14-12-31(13-15-32)23-16-19(2)10-11-20(23)3/h10-11,16-17,21H,5-9,12-15,18H2,1-4H3,(H,29,37)/t28-/m1/s1
• InChIKey: NMGUXTUYAYZOGE-MUUNZHRXSA-N
• XLogP: 2.76
• TPSA: 90.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92744295) is (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCN1C(=O)c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1.

What is the InChIKey of (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is NMGUXTUYAYZOGE-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H38N6O3/c1-5-33-26(36)24-17-22(30-34(24)18-28(33,4)27(37)29-21-8-6-7-9-21)25(35)32-14-12-31(13-15-32)23-16-19(2)10-11-20(23)3/h10-11,16-17,21H,5-9,12-15,18H2,1-4H3,(H,29,37)/t28-/m1/s1.

What are the key properties of (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N-cyclopentyl-2-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-5-ethyl-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92744295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).