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

C28H25N9O2 — CID 145415753

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

2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 145415753) has the molecular formula C28H25N9O2 and a molecular weight of 519.57 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

• Compound Name: 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
• PubChem CID: 145415753
• Molecular Formula: C28H25N9O2
• Molecular Weight: 519.57 g/mol
• Exact Mass: 519.21
• IUPAC Name: 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
• SMILES: CCc1nn2ccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2ccccc12
• InChI: InChI=1S/C20H17N5O.C8H8N4O/c1-3-18-22-24-12-11-16(10-9-15-13-21-23(2)14-15)19(24)20(26)25(18)17-7-5-4-6-8-17;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7/h4-8,11-14H,3H2,1-2H3;1-4H,(H2,9,11)(H2,10,13)
• InChIKey: CIEFXDXWNCLHIA-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 143.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.57
LogP ≤ 5	2.20
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]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?

The IUPAC name of 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 145415753) is 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-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-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?

The canonical SMILES for 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is CCc1nn2ccc(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-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?

The InChIKey is CIEFXDXWNCLHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.C8H8N4O/c1-3-18-22-24-12-11-16(10-9-15-13-21-23(2)14-15)19(24)20(26)25(18)17-7-5-4-6-8-17;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7/h4-8,11-14H,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-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one?

2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 519.57 g/mol, XLogP of 2.20, 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]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 145415753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).