2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide

C23H38N6O2 — CID 20928756

About 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide

2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide (PubChem CID 20928756) has the molecular formula C23H38N6O2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

• Compound Name: 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide
• PubChem CID: 20928756
• Molecular Formula: C23H38N6O2
• Molecular Weight: 430.60 g/mol
• Exact Mass: 430.31
• IUPAC Name: 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide
• SMILES: Cc1cc2n(n1)CCC(=O)N2C(C)C(=O)NCCCN1CCC(N2CCCCC2)CC1
• InChI: InChI=1S/C23H38N6O2/c1-18-17-21-28(25-18)16-9-22(30)29(21)19(2)23(31)24-10-6-11-26-14-7-20(8-15-26)27-12-4-3-5-13-27/h17,19-20H,3-16H2,1-2H3,(H,24,31)
• InChIKey: HINVSTIDGAHPNQ-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 73.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.60
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide?

The IUPAC name of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide (CID 20928756) is 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide.

What is the SMILES notation for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide?

The canonical SMILES for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide is Cc1cc2n(n1)CCC(=O)N2C(C)C(=O)NCCCN1CCC(N2CCCCC2)CC1.

What is the InChIKey of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide?

The InChIKey is HINVSTIDGAHPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O2/c1-18-17-21-28(25-18)16-9-22(30)29(21)19(2)23(31)24-10-6-11-26-14-7-20(8-15-26)27-12-4-3-5-13-27/h17,19-20H,3-16H2,1-2H3,(H,24,31).

What are the key properties of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide?

2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide has a molecular weight of 430.60 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 20928756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).