3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

C24H24ClFN4O2S — CID 87401002

About 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 87401002) has the molecular formula C24H24ClFN4O2S and a molecular weight of 487.00 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• PubChem CID: 87401002
• Molecular Formula: C24H24ClFN4O2S
• Molecular Weight: 487.00 g/mol
• Exact Mass: 486.13
• IUPAC Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• SMILES: CC(Oc1cc(-c2cnc3ccc(CN(C)CCF)cn23)sc1C(N)=O)c1ccccc1Cl
• InChI: InChI=1S/C24H24ClFN4O2S/c1-15(17-5-3-4-6-18(17)25)32-20-11-21(33-23(20)24(27)31)19-12-28-22-8-7-16(14-30(19)22)13-29(2)10-9-26/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H2,27,31)
• InChIKey: ZQFXCOODRODFOE-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 72.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.00
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 87401002) is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3ccc(CN(C)CCF)cn23)sc1C(N)=O)c1ccccc1Cl.

What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

The InChIKey is ZQFXCOODRODFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2S/c1-15(17-5-3-4-6-18(17)25)32-20-11-21(33-23(20)24(27)31)19-12-28-22-8-7-16(14-30(19)22)13-29(2)10-9-26/h3-8,11-12,14-15H,9-10,13H2,1-2H3,(H2,27,31).

What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 487.00 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 87401002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).