3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid

C30H27N5O3S — CID 68611298

IUPAC3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCCC2)n1
InChIInChI=1S/C30H27N5O3S/c1-18-26(35-15-12-20(28(37)38)16-25(35)32-18)24-17-39-29(34-24)30(13-4-5-14-30)21-10-8-19(9-11-21)27(36)33-23-7-3-2-6-22(23)31/h2-3,6-12,15-17H,4-5,13-14,31H2,1H3,(H,33,36)(H,37,38)
InChIKeyMALUVSREQJOZAF-UHFFFAOYSA-N
MW537.65 g/mol
LogP6.16
Rot. Bonds6

About 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid

3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 68611298) has the molecular formula C30H27N5O3S and a molecular weight of 537.65 g/mol. Its IUPAC name is 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID68611298
Molecular FormulaC30H27N5O3S
Molecular Weight537.65 g/mol
Exact Mass537.18
IUPAC Name3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCCC2)n1
InChIInChI=1S/C30H27N5O3S/c1-18-26(35-15-12-20(28(37)38)16-25(35)32-18)24-17-39-29(34-24)30(13-4-5-14-30)21-10-8-19(9-11-21)27(36)33-23-7-3-2-6-22(23)31/h2-3,6-12,15-17H,4-5,13-14,31H2,1H3,(H,33,36)(H,37,38)
InChIKeyMALUVSREQJOZAF-UHFFFAOYSA-N
XLogP6.16
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.65
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 87514257
methyl 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopropyl]pyrimidin-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylate
CID 56848376
N-(2-aminophenyl)-4-[1-(4-cyclohepta-1,3,6-trien-1-yl-1,3-thiazol-2-yl)cyclopentyl]benzamide
CID 91410552
3-[2-[1-[4-(hydroxycarbamoyl)phenyl]cyclopropyl]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 44623307
N-(2-aminophenyl)-4-[1-[4-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclopropyl]benzamide
CID 68609780
N-hydroxy-3-[1-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]cyclopropyl]benzamide
CID 44623259
N-(2-aminophenyl)-4-[4-(4-pyridin-3-yl-1,3-thiazol-2-yl)oxan-4-yl]benzamide
CID 59160914
methyl 4-[4-[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]oxan-4-yl]benzoate
CID 59160950
N-hydroxy-4-[1-[4-[6-(2-methoxyethoxy)-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]cyclopentyl]benzamide
CID 87514351
N-(2-aminophenyl)-4-[[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 58163762
N-(2-aminophenyl)-4-[[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]methyl]benzamide
CID 58930542
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid (CID 68611298) is 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid is Cc1nc2cc(C(=O)O)ccn2c1-c1csc(C2(c3ccc(C(=O)Nc4ccccc4N)cc3)CCCC2)n1.
What is the InChIKey of 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is MALUVSREQJOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3S/c1-18-26(35-15-12-20(28(37)38)16-25(35)32-18)24-17-39-29(34-24)30(13-4-5-14-30)21-10-8-19(9-11-21)27(36)33-23-7-3-2-6-22(23)31/h2-3,6-12,15-17H,4-5,13-14,31H2,1H3,(H,33,36)(H,37,38).
What are the key properties of 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid?
3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 537.65 g/mol, XLogP of 6.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[4-[(2-aminophenyl)carbamoyl]phenyl]cyclopentyl]-1,3-thiazol-4-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 68611298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).