methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate

C19H18FN3O3 — CID 70249523

IUPACmethyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc(C)c2nc(C(=O)NCc3ccc(F)c(C)c3)cn12
InChIInChI=1S/C19H18FN3O3/c1-11-4-7-16(19(25)26-3)23-10-15(22-17(11)23)18(24)21-9-13-5-6-14(20)12(2)8-13/h4-8,10H,9H2,1-3H3,(H,21,24)
InChIKeyQBKLPQJCLPOFEH-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.81
Rot. Bonds4

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

methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 70249523) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate
PubChem CID70249523
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Namemethyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccc(C)c2nc(C(=O)NCc3ccc(F)c(C)c3)cn12
InChIInChI=1S/C19H18FN3O3/c1-11-4-7-16(19(25)26-3)23-10-15(22-17(11)23)18(24)21-9-13-5-6-14(20)12(2)8-13/h4-8,10H,9H2,1-3H3,(H,21,24)
InChIKeyQBKLPQJCLPOFEH-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate 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

methyl 6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 69084423
5-N-[(3-aminophenyl)methyl]-2-N-[(4-fluoro-3-methylphenyl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 70245525
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-methyl-5-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 44519791
N-[(4-fluoro-3-methylphenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 78904454
6-cyano-N-[(4-fluoro-3-methylphenyl)methyl]pyridine-2-carboxamide
CID 115116506
2-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazo[1,2-a]pyridine-2,5-dicarboxamide
CID 44518147
8-carbamoyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,5-a]pyrimidine-4-carboxylic acid;methane;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 158600111
N-[(4-fluoro-3-methylphenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 24660078
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
4-[[[5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 91178075
5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462500
(2R)-2-amino-2-phenylacetamide;methyl 5-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 159632161

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate (CID 70249523) is methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1ccc(C)c2nc(C(=O)NCc3ccc(F)c(C)c3)cn12.
What is the InChIKey of methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is QBKLPQJCLPOFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-4-7-16(19(25)26-3)23-10-15(22-17(11)23)18(24)21-9-13-5-6-14(20)12(2)8-13/h4-8,10H,9H2,1-3H3,(H,21,24).
What are the key properties of methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate?
methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 355.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-8-methylimidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 70249523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).