7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one

C29H25N9O2 — CID 145057284

About 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one

7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 145057284) has the molecular formula C29H25N9O2 and a molecular weight of 531.58 g/mol. Its IUPAC name is 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 145057284
• Molecular Formula: C29H25N9O2
• Molecular Weight: 531.58 g/mol
• Exact Mass: 531.21
• IUPAC Name: 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one
• SMILES: CCc1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1.NC(=O)c1c(N)ncn2ccnc12
• InChI: InChI=1S/C22H18N4O.C7H7N5O/c1-3-19-21(17-8-5-4-6-9-17)22(27)26-18(10-7-11-20(26)24-19)13-12-16-14-23-25(2)15-16;8-5-4(6(9)13)7-10-1-2-12(7)3-11-5/h4-11,14-15H,3H2,1-2H3;1-3H,8H2,(H2,9,13)
• InChIKey: NXEWAQIBHNQVKL-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 151.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.58
LogP ≤ 5	2.47
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 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one (CID 145057284) is 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one is CCc1nc2cccc(C#Cc3cnn(C)c3)n2c(=O)c1-c1ccccc1.NC(=O)c1c(N)ncn2ccnc12.

What is the InChIKey of 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is NXEWAQIBHNQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C7H7N5O/c1-3-19-21(17-8-5-4-6-9-17)22(27)26-18(10-7-11-20(26)24-19)13-12-16-14-23-25(2)15-16;8-5-4(6(9)13)7-10-1-2-12(7)3-11-5/h4-11,14-15H,3H2,1-2H3;1-3H,8H2,(H2,9,13).

What are the key properties of 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one?

7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 531.58 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-6-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 145057284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).