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

C21H16ClF2N3O2S — CID 67438506

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

3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 67438506) has the molecular formula C21H16ClF2N3O2S and a molecular weight of 447.89 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• PubChem CID: 67438506
• Molecular Formula: C21H16ClF2N3O2S
• Molecular Weight: 447.89 g/mol
• Exact Mass: 447.06
• IUPAC Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• SMILES: CC(Oc1cc(-c2c(C(F)F)nc3ccccn23)sc1C(N)=O)c1ccccc1Cl
• InChI: InChI=1S/C21H16ClF2N3O2S/c1-11(12-6-2-3-7-13(12)22)29-14-10-15(30-19(14)21(25)28)18-17(20(23)24)26-16-8-4-5-9-27(16)18/h2-11,20H,1H3,(H2,25,28)
• InChIKey: BNDXHNFHLLGMSM-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 69.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.89
LogP ≤ 5	5.89
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-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 67438506) is 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

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

The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is CC(Oc1cc(-c2c(C(F)F)nc3ccccn23)sc1C(N)=O)c1ccccc1Cl.

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

The InChIKey is BNDXHNFHLLGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N3O2S/c1-11(12-6-2-3-7-13(12)22)29-14-10-15(30-19(14)21(25)28)18-17(20(23)24)26-16-8-4-5-9-27(16)18/h2-11,20H,1H3,(H2,25,28).

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

3-[1-(2-chlorophenyl)ethoxy]-5-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 447.89 g/mol, XLogP of 5.89, 6 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-[2-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67438506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).