2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one

C31H27F3N8O2 — CID 144927019

About 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one (PubChem CID 144927019) has the molecular formula C31H27F3N8O2 and a molecular weight of 600.61 g/mol. Its IUPAC name is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one.

Molecular Properties

• Compound Name: 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one
• PubChem CID: 144927019
• Molecular Formula: C31H27F3N8O2
• Molecular Weight: 600.61 g/mol
• Exact Mass: 600.22
• IUPAC Name: 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one
• SMILES: CCc1cc2cccc(C#Cc3cnn(C)c3C(F)(F)F)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2c1NCC=C2
• InChI: InChI=1S/C24H18F3N3O.C7H9N5O/c1-3-19-14-17-9-7-8-16(12-13-18-15-28-29(2)22(18)24(25,26)27)21(17)23(31)30(19)20-10-5-4-6-11-20;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-11,14-15H,3H2,1-2H3;1,3,10H,2H2,(H2,8,11)(H2,9,13)
• InChIKey: MIMIWCZPRJDNGY-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 138.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.61
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one?

The IUPAC name of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one (CID 144927019) is 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one.

What is the SMILES notation for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one?

The canonical SMILES for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one is CCc1cc2cccc(C#Cc3cnn(C)c3C(F)(F)F)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2c1NCC=C2.

What is the InChIKey of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one?

The InChIKey is MIMIWCZPRJDNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O.C7H9N5O/c1-3-19-14-17-9-7-8-16(12-13-18-15-28-29(2)22(18)24(25,26)27)21(17)23(31)30(19)20-10-5-4-6-11-20;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-11,14-15H,3H2,1-2H3;1,3,10H,2H2,(H2,8,11)(H2,9,13).

What are the key properties of 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one?

2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one has a molecular weight of 600.61 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-2-phenylisoquinolin-1-one is sourced from PubChem (CID 144927019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).