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

C28H38N6O3 — CID 92744401

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

(6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92744401) has the molecular formula C28H38N6O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is (6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92744401
• Molecular Formula: C28H38N6O3
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.30
• IUPAC Name: (6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCCN1C(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1
• InChI: InChI=1S/C28H38N6O3/c1-3-13-33-26(36)24-18-23(30-34(24)20-28(33,2)27(37)29-22-11-7-8-12-22)25(35)32-16-14-31(15-17-32)19-21-9-5-4-6-10-21/h4-6,9-10,18,22H,3,7-8,11-17,19-20H2,1-2H3,(H,29,37)/t28-/m1/s1
• InChIKey: SMDZLWJLHBOTHW-MUUNZHRXSA-N
• XLogP: 2.52
• TPSA: 90.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92744401) is (6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

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

The canonical SMILES for (6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCCN1C(=O)c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2C[C@]1(C)C(=O)NC1CCCC1.

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

The InChIKey is SMDZLWJLHBOTHW-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H38N6O3/c1-3-13-33-26(36)24-18-23(30-34(24)20-28(33,2)27(37)29-22-11-7-8-12-22)25(35)32-16-14-31(15-17-32)19-21-9-5-4-6-10-21/h4-6,9-10,18,22H,3,7-8,11-17,19-20H2,1-2H3,(H,29,37)/t28-/m1/s1.

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

(6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-(4-benzylpiperazine-1-carbonyl)-N-cyclopentyl-6-methyl-4-oxo-5-propyl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92744401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).