2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one

C30H24F3N9O2 — CID 144926925

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one (PubChem CID 144926925) has the molecular formula C30H24F3N9O2 and a molecular weight of 599.58 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one.

Molecular Properties

• Compound Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
• PubChem CID: 144926925
• Molecular Formula: C30H24F3N9O2
• Molecular Weight: 599.58 g/mol
• Exact Mass: 599.20
• IUPAC Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
• SMILES: CCc1nc2cccc(C#Cc3cnn(C)c3C(F)(F)F)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
• InChI: InChI=1S/C23H17F3N4O.C7H7N5O/c1-3-19-28-18-11-7-8-15(12-13-16-14-27-29(2)21(16)23(24,25)26)20(18)22(31)30(19)17-9-5-4-6-10-17;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-11,14H,3H2,1-2H3;1-3H,(H2,8,11)(H2,9,13)
• InChIKey: MAEPGLJNMBDBMH-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 152.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.58
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one (CID 144926925) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one.

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

The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one is CCc1nc2cccc(C#Cc3cnn(C)c3C(F)(F)F)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12.

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

The InChIKey is MAEPGLJNMBDBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O.C7H7N5O/c1-3-19-28-18-11-7-8-15(12-13-16-14-27-29(2)21(16)23(24,25)26)20(18)22(31)30(19)17-9-5-4-6-10-17;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-11,14H,3H2,1-2H3;1-3H,(H2,8,11)(H2,9,13).

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

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one has a molecular weight of 599.58 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 144926925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).