3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide

C21H18ClN3O2S — CID 67438496

About 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide

3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide (PubChem CID 67438496) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
• PubChem CID: 67438496
• Molecular Formula: C21H18ClN3O2S
• Molecular Weight: 411.91 g/mol
• Exact Mass: 411.08
• IUPAC Name: 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
• SMILES: Cc1cccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc12
• InChI: InChI=1S/C21H18ClN3O2S/c1-12-6-5-9-25-16(11-24-21(12)25)18-10-17(19(28-18)20(23)26)27-13(2)14-7-3-4-8-15(14)22/h3-11,13H,1-2H3,(H2,23,26)
• InChIKey: BJSLIEUEVPCTQE-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.91
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide?

The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide (CID 67438496) is 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide.

What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide?

The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide is Cc1cccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc12.

What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide?

The InChIKey is BJSLIEUEVPCTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c1-12-6-5-9-25-16(11-24-21(12)25)18-10-17(19(28-18)20(23)26)27-13(2)14-7-3-4-8-15(14)22/h3-11,13H,1-2H3,(H2,23,26).

What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide?

3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide has a molecular weight of 411.91 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 67438496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).