3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid

C20H18FN3O3 — CID 155069366

IUPAC3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid
SMILESCc1ccc(C(=O)O)c(C)c1-c1ccc2nc(NC(=O)C3CC3F)cn2c1
InChIInChI=1S/C20H18FN3O3/c1-10-3-5-13(20(26)27)11(2)18(10)12-4-6-17-22-16(9-24(17)8-12)23-19(25)14-7-15(14)21/h3-6,8-9,14-15H,7H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyGPJZQRLFYXVCGD-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.61
Rot. Bonds4

About 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid

3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid (PubChem CID 155069366) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid.

Molecular Properties

Compound Name3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid
PubChem CID155069366
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid
SMILESCc1ccc(C(=O)O)c(C)c1-c1ccc2nc(NC(=O)C3CC3F)cn2c1
InChIInChI=1S/C20H18FN3O3/c1-10-3-5-13(20(26)27)11(2)18(10)12-4-6-17-22-16(9-24(17)8-12)23-19(25)14-7-15(14)21/h3-6,8-9,14-15H,7H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyGPJZQRLFYXVCGD-UHFFFAOYSA-N
XLogP3.61
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid with MolForge

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Related Compounds

cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069451
cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069438
2-fluoro-N-[6-(5-methyl-2-oxo-1,3-dihydroindol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686419
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-2-oxo-1,3-dihydroindol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686520
2-fluoro-N-[6-(5-hydroxy-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686201
trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155081931
2-fluoro-N-[6-(5-fluoro-4-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686390
2-fluoro-N-[6-[2-(hydroxymethyl)-3-methylphenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686332
2-fluoro-N-[6-(3-fluoro-2-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686207
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069370
2-fluoro-N-[6-(4-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686230
N-[6-[3-chloro-2-fluoro-6-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069416

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid?
The IUPAC name of 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid (CID 155069366) is 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid.
What is the SMILES notation for 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid?
The canonical SMILES for 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid is Cc1ccc(C(=O)O)c(C)c1-c1ccc2nc(NC(=O)C3CC3F)cn2c1.
What is the InChIKey of 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid?
The InChIKey is GPJZQRLFYXVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-10-3-5-13(20(26)27)11(2)18(10)12-4-6-17-22-16(9-24(17)8-12)23-19(25)14-7-15(14)21/h3-6,8-9,14-15H,7H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid?
3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid has a molecular weight of 367.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid is sourced from PubChem (CID 155069366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).