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

C24H23ClN4O4S — CID 24993608

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

ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate (PubChem CID 24993608) has the molecular formula C24H23ClN4O4S and a molecular weight of 498.99 g/mol. Its IUPAC name is ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
• PubChem CID: 24993608
• Molecular Formula: C24H23ClN4O4S
• Molecular Weight: 498.99 g/mol
• Exact Mass: 498.11
• IUPAC Name: ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
• SMILES: CCOC(=O)Nc1ccn2c(-c3cc(O[C@@H](CC)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
• InChI: InChI=1S/C24H23ClN4O4S/c1-3-18(15-7-5-6-8-16(15)25)33-19-12-20(34-22(19)23(26)30)17-13-27-21-11-14(9-10-29(17)21)28-24(31)32-4-2/h5-13,18H,3-4H2,1-2H3,(H2,26,30)(H,28,31)/t18-/m0/s1
• InChIKey: ORSYWOAXRKHQAO-SFHVURJKSA-N
• XLogP: 5.91
• TPSA: 107.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.99
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate (CID 24993608) is ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate.

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

The canonical SMILES for ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate is CCOC(=O)Nc1ccn2c(-c3cc(O[C@@H](CC)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.

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

The InChIKey is ORSYWOAXRKHQAO-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23ClN4O4S/c1-3-18(15-7-5-6-8-16(15)25)33-19-12-20(34-22(19)23(26)30)17-13-27-21-11-14(9-10-29(17)21)28-24(31)32-4-2/h5-13,18H,3-4H2,1-2H3,(H2,26,30)(H,28,31)/t18-/m0/s1.

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

ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate has a molecular weight of 498.99 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[3-[5-carbamoyl-4-[(1S)-1-(2-chlorophenyl)propoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate is sourced from PubChem (CID 24993608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).