3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

C26H27ClN4O4S — CID 67438814

About 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 67438814) has the molecular formula C26H27ClN4O4S and a molecular weight of 527.05 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• PubChem CID: 67438814
• Molecular Formula: C26H27ClN4O4S
• Molecular Weight: 527.05 g/mol
• Exact Mass: 526.14
• IUPAC Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• SMILES: CC(Oc1cc(-c2cnc3ccc(OCCN4CCOCC4)cn23)sc1C(N)=O)c1ccccc1Cl
• InChI: InChI=1S/C26H27ClN4O4S/c1-17(19-4-2-3-5-20(19)27)35-22-14-23(36-25(22)26(28)32)21-15-29-24-7-6-18(16-31(21)24)34-13-10-30-8-11-33-12-9-30/h2-7,14-17H,8-13H2,1H3,(H2,28,32)
• InChIKey: CPKAMTGSTQEZGH-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.05
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 67438814) is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is CC(Oc1cc(-c2cnc3ccc(OCCN4CCOCC4)cn23)sc1C(N)=O)c1ccccc1Cl.

What is the InChIKey of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

The InChIKey is CPKAMTGSTQEZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O4S/c1-17(19-4-2-3-5-20(19)27)35-22-14-23(36-25(22)26(28)32)21-15-29-24-7-6-18(16-31(21)24)34-13-10-30-8-11-33-12-9-30/h2-7,14-17H,8-13H2,1H3,(H2,28,32).

What are the key properties of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide?

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 527.05 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67438814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).