4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

C26H23FN4O4 — CID 44519112

IUPAC4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(C(=O)O)cc4)ccc(C)c3n2)ccc1F
InChIInChI=1S/C26H23FN4O4/c1-15-3-10-22(25(33)29-12-17-4-7-19(8-5-17)26(34)35)31-14-21(30-23(15)31)24(32)28-13-18-6-9-20(27)16(2)11-18/h3-11,14H,12-13H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)
InChIKeyYWGIYJDFQFEGIU-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.65
Rot. Bonds7

About 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid

4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (PubChem CID 44519112) has the molecular formula C26H23FN4O4 and a molecular weight of 474.49 g/mol. Its IUPAC name is 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
PubChem CID44519112
Molecular FormulaC26H23FN4O4
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
SMILESCc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(C(=O)O)cc4)ccc(C)c3n2)ccc1F
InChIInChI=1S/C26H23FN4O4/c1-15-3-10-22(25(33)29-12-17-4-7-19(8-5-17)26(34)35)31-14-21(30-23(15)31)24(32)28-13-18-6-9-20(27)16(2)11-18/h3-11,14H,12-13H2,1-2H3,(H,28,32)(H,29,33)(H,34,35)
InChIKeyYWGIYJDFQFEGIU-UHFFFAOYSA-N
XLogP3.65
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

Zolpidem carboxylic acid
CID 11966044
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
Aminoimidazo[1,2-a]pyridine deriv. 36
CID 5330622
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
2-[14-(Carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl]benzoic acid
CID 18694042
3-[14-(Carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl]benzoic acid
CID 18694051
4-[14-(Carboxymethyl)-7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaen-4-yl]benzoic acid
CID 18694066
4-[8-(2,6-Dimethylphenylamino)imidazo[1,5-a]-pyrazin-5-yl]benzoic acid
CID 44422549
2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469008
N-[(4-phenylphenyl)methyl]-2-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 53469009
4-(3-(Cyclohexylmethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyrazin-5-yl)benzoic acid
CID 57403086
4-(2-hydroxypropan-2-yl)-N-(6-imidazol-1-ylimidazo[1,2-a]pyridin-2-yl)benzamide
CID 59175469

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid (CID 44519112) is 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is Cc1cc(CNC(=O)c2cn3c(C(=O)NCc4ccc(C(=O)O)cc4)ccc(C)c3n2)ccc1F.
What is the InChIKey of 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
The InChIKey is YWGIYJDFQFEGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4/c1-15-3-10-22(25(33)29-12-17-4-7-19(8-5-17)26(34)35)31-14-21(30-23(15)31)24(32)28-13-18-6-9-20(27)16(2)11-18/h3-11,14H,12-13H2,1-2H3,(H,28,32)(H,29,33)(H,34,35).
What are the key properties of 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid?
4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid has a molecular weight of 474.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 44519112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).