2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one

C30H26N8O2 — CID 145415578

About 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one

2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one (PubChem CID 145415578) has the molecular formula C30H26N8O2 and a molecular weight of 530.59 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one.

Molecular Properties

• Compound Name: 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one
• PubChem CID: 145415578
• Molecular Formula: C30H26N8O2
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.22
• IUPAC Name: 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one
• SMILES: CCc1nc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2ccccc12
• InChI: InChI=1S/C22H18N4O.C8H8N4O/c1-3-20-24-19-11-7-8-17(13-12-16-14-23-25(2)15-16)21(19)22(27)26(20)18-9-5-4-6-10-18;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7/h4-11,14-15H,3H2,1-2H3;1-4H,(H2,9,11)(H2,10,13)
• InChIKey: VEZNUFJMVZLERX-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 139.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.59
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
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]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one?

The IUPAC name of 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one (CID 145415578) is 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one.

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

The canonical SMILES for 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one is CCc1nc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2ccccc12.

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

The InChIKey is VEZNUFJMVZLERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C8H8N4O/c1-3-20-24-19-11-7-8-17(13-12-16-14-23-25(2)15-16)21(19)22(27)26(20)18-9-5-4-6-10-18;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7/h4-11,14-15H,3H2,1-2H3;1-4H,(H2,9,11)(H2,10,13).

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

2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one has a molecular weight of 530.59 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 145415578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).