4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid

C20H16ClN3O3S — CID 91557224

IUPAC4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid
SMILESCC1(C(=O)O)C(c2ccc(Cl)cc2)=CSC1NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C20H16ClN3O3S/c1-20(19(26)27)14(12-5-7-13(21)8-6-12)11-28-18(20)23-17(25)15-10-24-9-3-2-4-16(24)22-15/h2-11,18H,1H3,(H,23,25)(H,26,27)
InChIKeyUMHHCDISVUPMSJ-UHFFFAOYSA-N
MW413.89 g/mol
LogP3.92
Rot. Bonds4

About 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid

4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid (PubChem CID 91557224) has the molecular formula C20H16ClN3O3S and a molecular weight of 413.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid
PubChem CID91557224
Molecular FormulaC20H16ClN3O3S
Molecular Weight413.89 g/mol
Exact Mass413.06
IUPAC Name4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid
SMILESCC1(C(=O)O)C(c2ccc(Cl)cc2)=CSC1NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C20H16ClN3O3S/c1-20(19(26)27)14(12-5-7-13(21)8-6-12)11-28-18(20)23-17(25)15-10-24-9-3-2-4-16(24)22-15/h2-11,18H,1H3,(H,23,25)(H,26,27)
InChIKeyUMHHCDISVUPMSJ-UHFFFAOYSA-N
XLogP3.92
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 8839003
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
N-(3-acetylphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 18079676
N-(2-hydroxycyclohexyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 55063744
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
6-(imidazo[1,2-a]pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 61319611
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
N-(1-benzylpiperidin-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51254704
2-(4-chlorophenyl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)acetamide
CID 122323070
4-(4-chlorophenyl)-2-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
CID 58295346

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid (CID 91557224) is 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid is CC1(C(=O)O)C(c2ccc(Cl)cc2)=CSC1NC(=O)c1cn2ccccc2n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid?
The InChIKey is UMHHCDISVUPMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O3S/c1-20(19(26)27)14(12-5-7-13(21)8-6-12)11-28-18(20)23-17(25)15-10-24-9-3-2-4-16(24)22-15/h2-11,18H,1H3,(H,23,25)(H,26,27).
What are the key properties of 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid?
4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid has a molecular weight of 413.89 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methyl-2H-thiophene-3-carboxylic acid is sourced from PubChem (CID 91557224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).