2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one

C30H24N8O2 — CID 144926817

About 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one

2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one (PubChem CID 144926817) has the molecular formula C30H24N8O2 and a molecular weight of 528.58 g/mol. Its IUPAC name is 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one.

Molecular Properties

• Compound Name: 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one
• PubChem CID: 144926817
• Molecular Formula: C30H24N8O2
• Molecular Weight: 528.58 g/mol
• Exact Mass: 528.20
• IUPAC Name: 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one
• SMILES: CCc1nc2cccc(C#Cc3ccncc3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nc2cccnn12
• InChI: InChI=1S/C23H17N3O.C7H7N5O/c1-2-21-25-20-10-6-7-18(12-11-17-13-15-24-16-14-17)22(20)23(27)26(21)19-8-4-3-5-9-19;8-6-5(7(9)13)12-4(11-6)2-1-3-10-12/h3-10,13-16H,2H2,1H3;1-3H,8H2,(H2,9,13)
• InChIKey: DACHDWDHHAEXML-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 147.08 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	528.58
LogP ≤ 5	3.15
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-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one?

The IUPAC name of 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one (CID 144926817) is 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one.

What is the SMILES notation for 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one?

The canonical SMILES for 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one is CCc1nc2cccc(C#Cc3ccncc3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nc2cccnn12.

What is the InChIKey of 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one?

The InChIKey is DACHDWDHHAEXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O.C7H7N5O/c1-2-21-25-20-10-6-7-18(12-11-17-13-15-24-16-14-17)22(20)23(27)26(21)19-8-4-3-5-9-19;8-6-5(7(9)13)12-4(11-6)2-1-3-10-12/h3-10,13-16H,2H2,1H3;1-3H,8H2,(H2,9,13).

What are the key properties of 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one?

2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one has a molecular weight of 528.58 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one is sourced from PubChem (CID 144926817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).