2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine

C29H25N9O — CID 145057594

About 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine (PubChem CID 145057594) has the molecular formula C29H25N9O and a molecular weight of 515.58 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine.

Molecular Properties

• Compound Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine
• PubChem CID: 145057594
• Molecular Formula: C29H25N9O
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.22
• IUPAC Name: 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine
• SMILES: CCc1cc2nccc(C#Cc3ccn(C)n3)c2nc1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12
• InChI: InChI=1S/C22H18N4.C7H7N5O/c1-3-16-15-20-22(24-21(16)17-7-5-4-6-8-17)18(11-13-23-20)9-10-19-12-14-26(2)25-19;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-8,11-15H,3H2,1-2H3;1-3H,(H2,8,11)(H2,9,13)
• InChIKey: OMKJCBABGFIVFO-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 142.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	3.40
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]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine?

The IUPAC name of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine (CID 145057594) is 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine.

What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine?

The canonical SMILES for 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine is CCc1cc2nccc(C#Cc3ccn(C)n3)c2nc1-c1ccccc1.NC(=O)c1c(N)nn2cccnc12.

What is the InChIKey of 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine?

The InChIKey is OMKJCBABGFIVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4.C7H7N5O/c1-3-16-15-20-22(24-21(16)17-7-5-4-6-8-17)18(11-13-23-20)9-10-19-12-14-26(2)25-19;8-5-4(6(9)13)7-10-2-1-3-12(7)11-5/h4-8,11-15H,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;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine?

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine has a molecular weight of 515.58 g/mol, XLogP of 3.40, 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]pyrimidine-3-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-3-yl)ethynyl]-2-phenyl-1,5-naphthyridine is sourced from PubChem (CID 145057594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).