2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one

C30H24N8O3 — CID 144926736

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one (PubChem CID 144926736) has the molecular formula C30H24N8O3 and a molecular weight of 544.58 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one.

Molecular Properties

• Compound Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one
• PubChem CID: 144926736
• Molecular Formula: C30H24N8O3
• Molecular Weight: 544.58 g/mol
• Exact Mass: 544.20
• IUPAC Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one
• SMILES: CCc1nc2cccc(C#Cc3ccc(=O)[nH]c3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
• InChI: InChI=1S/C23H17N3O2.C7H7N5O/c1-2-20-25-19-10-6-7-17(13-11-16-12-14-21(27)24-15-16)22(19)23(28)26(20)18-8-4-3-5-9-18;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10,12,14-15H,2H2,1H3,(H,24,27);1-3H,(H2,8,11)(H2,9,13)
• InChIKey: OJSNVNRKDRJCFM-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 167.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.58
LogP ≤ 5	2.45
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-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one?

The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one (CID 144926736) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one.

What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one?

The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one is CCc1nc2cccc(C#Cc3ccc(=O)[nH]c3)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-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one?

The InChIKey is OJSNVNRKDRJCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2.C7H7N5O/c1-2-20-25-19-10-6-7-17(13-11-16-12-14-21(27)24-15-16)22(19)23(28)26(20)18-8-4-3-5-9-18;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10,12,14-15H,2H2,1H3,(H,24,27);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-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one?

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one has a molecular weight of 544.58 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 144926736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).