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

C23H21ClN4O4S — CID 24993286

IUPACethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
SMILESCCOC(=O)Nc1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C23H21ClN4O4S/c1-3-31-23(30)27-14-8-9-28-17(12-26-20(28)10-14)19-11-18(21(33-19)22(25)29)32-13(2)15-6-4-5-7-16(15)24/h4-13H,3H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyUZJKFSCFISDJTF-UHFFFAOYSA-N
MW484.97 g/mol
LogP5.52
Rot. Bonds7

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

ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate (PubChem CID 24993286) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
PubChem CID24993286
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC Nameethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
SMILESCCOC(=O)Nc1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C23H21ClN4O4S/c1-3-31-23(30)27-14-8-9-28-17(12-26-20(28)10-14)19-11-18(21(33-19)22(25)29)32-13(2)15-6-4-5-7-16(15)24/h4-13H,3H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyUZJKFSCFISDJTF-UHFFFAOYSA-N
XLogP5.52
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.97
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?
The IUPAC name of ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate (CID 24993286) is ethyl 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 ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?
The canonical SMILES for ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate is CCOC(=O)Nc1ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc2c1.
What is the InChIKey of ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?
The InChIKey is UZJKFSCFISDJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-3-31-23(30)27-14-8-9-28-17(12-26-20(28)10-14)19-11-18(21(33-19)22(25)29)32-13(2)15-6-4-5-7-16(15)24/h4-13H,3H2,1-2H3,(H2,25,29)(H,27,30).
What are the key properties of ethyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate?
ethyl 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 484.97 g/mol, XLogP of 5.52, 7 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-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate is sourced from PubChem (CID 24993286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).