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

C30H26N8O2 — CID 144927130

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

7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one (PubChem CID 144927130) has the molecular formula C30H26N8O2 and a molecular weight of 530.59 g/mol. Its IUPAC name is 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one.

Molecular Properties

• Compound Name: 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
• PubChem CID: 144927130
• Molecular Formula: C30H26N8O2
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.22
• IUPAC Name: 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
• SMILES: CCc1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)ncn2ccnc12
• InChI: InChI=1S/C23H19N3O.C7H7N5O/c1-3-20-14-19-9-7-8-18(13-12-17-15-24-25(2)16-17)22(19)23(27)26(20)21-10-5-4-6-11-21;8-5-4(6(9)13)7-10-1-2-12(7)3-11-5/h4-11,14-16H,3H2,1-2H3;1-3H,8H2,(H2,9,13)
• InChIKey: NEPVTHYCGTTZEO-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 139.12 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	530.59
LogP ≤ 5	3.10
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 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one?

The IUPAC name of 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one (CID 144927130) is 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one.

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

The canonical SMILES for 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one is CCc1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)ncn2ccnc12.

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

The InChIKey is NEPVTHYCGTTZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O.C7H7N5O/c1-3-20-14-19-9-7-8-18(13-12-17-15-24-25(2)16-17)22(19)23(27)26(20)21-10-5-4-6-11-21;8-5-4(6(9)13)7-10-1-2-12(7)3-11-5/h4-11,14-16H,3H2,1-2H3;1-3H,8H2,(H2,9,13).

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

7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one has a molecular weight of 530.59 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;3-ethyl-8-[2-(1-methylpyrazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one is sourced from PubChem (CID 144927130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).