2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

C27H31N7OS — CID 165126619

About 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 165126619) has the molecular formula C27H31N7OS and a molecular weight of 501.66 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 165126619
• Molecular Formula: C27H31N7OS
• Molecular Weight: 501.66 g/mol
• Exact Mass: 501.23
• IUPAC Name: 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• SMILES: Cc1cnc2nc(C3CC3)c(C(=O)NCc3ccc(-c4cc5n(n4)CCN(SC(C)C)C5)cc3)n2c1
• InChI: InChI=1S/C27H31N7OS/c1-17(2)36-32-10-11-34-22(16-32)12-23(31-34)20-6-4-19(5-7-20)14-28-26(35)25-24(21-8-9-21)30-27-29-13-18(3)15-33(25)27/h4-7,12-13,15,17,21H,8-11,14,16H2,1-3H3,(H,28,35)
• InChIKey: RYOOFGWKPVEOMC-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 80.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.66
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide (CID 165126619) is 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is Cc1cnc2nc(C3CC3)c(C(=O)NCc3ccc(-c4cc5n(n4)CCN(SC(C)C)C5)cc3)n2c1.

What is the InChIKey of 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is RYOOFGWKPVEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7OS/c1-17(2)36-32-10-11-34-22(16-32)12-23(31-34)20-6-4-19(5-7-20)14-28-26(35)25-24(21-8-9-21)30-27-29-13-18(3)15-33(25)27/h4-7,12-13,15,17,21H,8-11,14,16H2,1-3H3,(H,28,35).

What are the key properties of 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide?

2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 501.66 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-methyl-N-[[4-(5-propan-2-ylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 165126619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).