3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid

C22H18ClN3O4S — CID 67431627

IUPAC3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1c(C(=O)O)ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc12
InChIInChI=1S/C22H18ClN3O4S/c1-11-13(22(28)29)7-8-26-16(10-25-21(11)26)18-9-17(19(31-18)20(24)27)30-12(2)14-5-3-4-6-15(14)23/h3-10,12H,1-2H3,(H2,24,27)(H,28,29)
InChIKeyKDSOUTARUOJFDY-UHFFFAOYSA-N
MW455.92 g/mol
LogP4.96
Rot. Bonds6

About 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid

3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 67431627) has the molecular formula C22H18ClN3O4S and a molecular weight of 455.92 g/mol. Its IUPAC name is 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID67431627
Molecular FormulaC22H18ClN3O4S
Molecular Weight455.92 g/mol
Exact Mass455.07
IUPAC Name3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1c(C(=O)O)ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc12
InChIInChI=1S/C22H18ClN3O4S/c1-11-13(22(28)29)7-8-26-16(10-25-21(11)26)18-9-17(19(31-18)20(24)27)30-12(2)14-5-3-4-6-15(14)23/h3-10,12H,1-2H3,(H2,24,27)(H,28,29)
InChIKeyKDSOUTARUOJFDY-UHFFFAOYSA-N
XLogP4.96
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(2-chlorophenyl)ethoxy]-5-(8-methylimidazo[1,2-a]pyridin-3-yl)thiophene-2-carboxamide
CID 67438496
methyl N-[3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]imidazo[1,2-a]pyridin-7-yl]carbamate
CID 67008865
5-[6-(aminomethyl)imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 67437966
3-[1-(2-chlorophenyl)ethoxy]-5-[7-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 67436124
3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-hydroxyethylamino)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 67437948
5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 67438503
5-[6-[(4-acetylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-3-yl]-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide
CID 67438509
3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 67437632
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[[methyl(pyridin-2-yl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 67443062
3-[1-(2-chlorophenyl)ethoxy]-5-[6-[[2-fluoroethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 87401002
3-[1-(2-chlorophenyl)ethoxy]-5-[6-(2-morpholin-4-ylethoxy)imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 67438814
3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 56667239

Frequently Asked Questions

What is the IUPAC name of 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid (CID 67431627) is 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid is Cc1c(C(=O)O)ccn2c(-c3cc(OC(C)c4ccccc4Cl)c(C(N)=O)s3)cnc12.
What is the InChIKey of 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is KDSOUTARUOJFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O4S/c1-11-13(22(28)29)7-8-26-16(10-25-21(11)26)18-9-17(19(31-18)20(24)27)30-12(2)14-5-3-4-6-15(14)23/h3-10,12H,1-2H3,(H2,24,27)(H,28,29).
What are the key properties of 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid?
3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 455.92 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-carbamoyl-4-[1-(2-chlorophenyl)ethoxy]thiophen-2-yl]-8-methylimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 67431627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).