2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one

C23H18N4OS2 — CID 1183938

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1183938) has the molecular formula C23H18N4OS2 and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one
• PubChem CID: 1183938
• Molecular Formula: C23H18N4OS2
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.09
• IUPAC Name: 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one
• SMILES: C=CCn1c(SCc2cn3ccccc3n2)nc(=O)c2c(-c3ccccc3)csc21
• InChI: InChI=1S/C23H18N4OS2/c1-2-11-27-22-20(18(15-29-22)16-8-4-3-5-9-16)21(28)25-23(27)30-14-17-13-26-12-7-6-10-19(26)24-17/h2-10,12-13,15H,1,11,14H2
• InChIKey: ZDENLFJAHRNANI-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 52.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one (CID 1183938) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one is C=CCn1c(SCc2cn3ccccc3n2)nc(=O)c2c(-c3ccccc3)csc21.

What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one?

The InChIKey is ZDENLFJAHRNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4OS2/c1-2-11-27-22-20(18(15-29-22)16-8-4-3-5-9-16)21(28)25-23(27)30-14-17-13-26-12-7-6-10-19(26)24-17/h2-10,12-13,15H,1,11,14H2.

What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one?

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 430.56 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1183938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).