4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

C25H26N4OS2 — CID 55523045

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (PubChem CID 55523045) has the molecular formula C25H26N4OS2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

• Compound Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
• PubChem CID: 55523045
• Molecular Formula: C25H26N4OS2
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.15
• IUPAC Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
• SMILES: O=C(NCC(c1cccs1)N1CCCC1)c1ccc(SCc2cn3ccccc3n2)cc1
• InChI: InChI=1S/C25H26N4OS2/c30-25(26-16-22(23-6-5-15-31-23)28-12-3-4-13-28)19-8-10-21(11-9-19)32-18-20-17-29-14-2-1-7-24(29)27-20/h1-2,5-11,14-15,17,22H,3-4,12-13,16,18H2,(H,26,30)
• InChIKey: ISEYLUVIPFEFRP-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 49.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?

The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide (CID 55523045) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide.

What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?

The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is O=C(NCC(c1cccs1)N1CCCC1)c1ccc(SCc2cn3ccccc3n2)cc1.

What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?

The InChIKey is ISEYLUVIPFEFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS2/c30-25(26-16-22(23-6-5-15-31-23)28-12-3-4-13-28)19-8-10-21(11-9-19)32-18-20-17-29-14-2-1-7-24(29)27-20/h1-2,5-11,14-15,17,22H,3-4,12-13,16,18H2,(H,26,30).

What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide?

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide has a molecular weight of 462.64 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 55523045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).