7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one

C27H23N9O2S — CID 145057353

About 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one

7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 145057353) has the molecular formula C27H23N9O2S and a molecular weight of 537.61 g/mol. Its IUPAC name is 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
• PubChem CID: 145057353
• Molecular Formula: C27H23N9O2S
• Molecular Weight: 537.61 g/mol
• Exact Mass: 537.17
• IUPAC Name: 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one
• SMILES: CCc1nc2scc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)ncn2ccnc12
• InChI: InChI=1S/C20H16N4OS.C7H7N5O/c1-3-17-22-19-18(20(25)24(17)16-7-5-4-6-8-16)15(13-26-19)10-9-14-11-21-23(2)12-14;8-5-4(6(9)13)7-10-1-2-12(7)3-11-5/h4-8,11-13H,3H2,1-2H3;1-3H,8H2,(H2,9,13)
• InChIKey: WQABHXPKXZWXTL-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 152.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.61
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one (CID 145057353) is 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one is CCc1nc2scc(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;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one?

The InChIKey is WQABHXPKXZWXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS.C7H7N5O/c1-3-17-22-19-18(20(25)24(17)16-7-5-4-6-8-16)15(13-26-19)10-9-14-11-21-23(2)12-14;8-5-4(6(9)13)7-10-1-2-12(7)3-11-5/h4-8,11-13H,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-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one?

7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 537.61 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-aminoimidazo[1,2-c]pyrimidine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 145057353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).