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

C22H21ClN4O3S — CID 67437948

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

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (PubChem CID 67437948) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• PubChem CID: 67437948
• Molecular Formula: C22H21ClN4O3S
• Molecular Weight: 456.96 g/mol
• Exact Mass: 456.10
• IUPAC Name: 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
• SMILES: CC(Oc1cc(-c2cnc3ccc(NCCO)cn23)sc1C(N)=O)c1ccccc1Cl
• InChI: InChI=1S/C22H21ClN4O3S/c1-13(15-4-2-3-5-16(15)23)30-18-10-19(31-21(18)22(24)29)17-11-26-20-7-6-14(12-27(17)20)25-8-9-28/h2-7,10-13,25,28H,8-9H2,1H3,(H2,24,29)
• InChIKey: QKBYTZIGALLDBR-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 101.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.96
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide (CID 67437948) is 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide.

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

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

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

The InChIKey is QKBYTZIGALLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c1-13(15-4-2-3-5-16(15)23)30-18-10-19(31-21(18)22(24)29)17-11-26-20-7-6-14(12-27(17)20)25-8-9-28/h2-7,10-13,25,28H,8-9H2,1H3,(H2,24,29).

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

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide has a molecular weight of 456.96 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67437948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).