N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C36H28FN5O2S2 — CID 166345753

About N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 166345753) has the molecular formula C36H28FN5O2S2 and a molecular weight of 645.79 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
• PubChem CID: 166345753
• Molecular Formula: C36H28FN5O2S2
• Molecular Weight: 645.79 g/mol
• Exact Mass: 645.17
• IUPAC Name: N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
• SMILES: Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)CSc2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)n2-c2ccccc2)c1
• InChI: InChI=1S/C36H28FN5O2S2/c1-21-17-22(2)19-25(18-21)32-33(41-16-8-7-11-28(41)38-32)39-29(43)20-45-36-40-34-31(35(44)42(36)27-9-5-4-6-10-27)30(23(3)46-34)24-12-14-26(37)15-13-24/h4-19H,20H2,1-3H3,(H,39,43)
• InChIKey: OGQRQEURXUFSOD-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.79
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?

The IUPAC name of N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 166345753) is N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

What is the SMILES notation for N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?

The canonical SMILES for N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is Cc1cc(C)cc(-c2nc3ccccn3c2NC(=O)CSc2nc3sc(C)c(-c4ccc(F)cc4)c3c(=O)n2-c2ccccc2)c1.

What is the InChIKey of N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?

The InChIKey is OGQRQEURXUFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28FN5O2S2/c1-21-17-22(2)19-25(18-21)32-33(41-16-8-7-11-28(41)38-32)39-29(43)20-45-36-40-34-31(35(44)42(36)27-9-5-4-6-10-27)30(23(3)46-34)24-12-14-26(37)15-13-24/h4-19H,20H2,1-3H3,(H,39,43).

What are the key properties of N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide?

N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 645.79 g/mol, XLogP of 8.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[5-(4-fluorophenyl)-6-methyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 166345753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).