methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate

C22H19ClN4O4S — CID 67008865

About methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate

methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate (PubChem CID 67008865) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate.

Molecular Properties

• Compound Name: methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
• PubChem CID: 67008865
• Molecular Formula: C22H19ClN4O4S
• Molecular Weight: 470.94 g/mol
• Exact Mass: 470.08
• IUPAC Name: methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
• SMILES: COC(=O)Nc1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
• InChI: InChI=1S/C22H19ClN4O4S/c1-12(14-5-3-4-6-15(14)23)31-17-10-18(32-20(17)21(24)28)16-11-25-19-9-13(7-8-27(16)19)26-22(29)30-2/h3-12H,1-2H3,(H2,24,28)(H,26,29)
• InChIKey: JHELAGWEGBUUTJ-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 107.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.94
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?

The IUPAC name of methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate (CID 67008865) is methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate.

What is the SMILES notation for methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?

The canonical SMILES for methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate is COC(=O)Nc1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.

What is the InChIKey of methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?

The InChIKey is JHELAGWEGBUUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-12(14-5-3-4-6-15(14)23)31-17-10-18(32-20(17)21(24)28)16-11-25-19-9-13(7-8-27(16)19)26-22(29)30-2/h3-12H,1-2H3,(H2,24,28)(H,26,29).

What are the key properties of methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?

methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate has a molecular weight of 470.94 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate is sourced from PubChem (CID 67008865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).