2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline

C30H24N8O — CID 145057524

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline (PubChem CID 145057524) has the molecular formula C30H24N8O and a molecular weight of 512.58 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline.

Molecular Properties

• Compound Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline
• PubChem CID: 145057524
• Molecular Formula: C30H24N8O
• Molecular Weight: 512.58 g/mol
• Exact Mass: 512.21
• IUPAC Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline
• SMILES: CCc1nc2cccc(C#Cc3ccncc3)c2nc1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
• InChI: InChI=1S/C23H17N3.C7H7N5O/c1-2-20-22(18-7-4-3-5-8-18)26-23-19(9-6-10-21(23)25-20)12-11-17-13-15-24-16-14-17;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10,13-16H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13)
• InChIKey: NMFJGUWXRQYIDV-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 137.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.58
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline?

The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline (CID 145057524) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline.

What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline?

The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline is CCc1nc2cccc(C#Cc3ccncc3)c2nc1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12.

What is the InChIKey of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline?

The InChIKey is NMFJGUWXRQYIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3.C7H7N5O/c1-2-20-22(18-7-4-3-5-8-18)26-23-19(9-6-10-21(23)25-20)12-11-17-13-15-24-16-14-17;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h3-10,13-16H,2H2,1H3;1-3H,(H2,8,11)(H2,9,13).

What are the key properties of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline?

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline has a molecular weight of 512.58 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinoxaline is sourced from PubChem (CID 145057524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).