1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one

C18H15BrClFN2O — CID 177064451

IUPAC1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one
SMILESCc1ccn2c(CC(=O)CCl)c(-c3c(C)cc(Br)cc3F)nc2c1
InChIInChI=1S/C18H15BrClFN2O/c1-10-3-4-23-15(8-13(24)9-20)18(22-16(23)5-10)17-11(2)6-12(19)7-14(17)21/h3-7H,8-9H2,1-2H3
InChIKeyTUJLNLVHPYHVFX-UHFFFAOYSA-N
MW409.69 g/mol
LogP4.87
Rot. Bonds4

About 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one

1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one (PubChem CID 177064451) has the molecular formula C18H15BrClFN2O and a molecular weight of 409.69 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one.

Molecular Properties

Compound Name1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one
PubChem CID177064451
Molecular FormulaC18H15BrClFN2O
Molecular Weight409.69 g/mol
Exact Mass408.00
IUPAC Name1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one
SMILESCc1ccn2c(CC(=O)CCl)c(-c3c(C)cc(Br)cc3F)nc2c1
InChIInChI=1S/C18H15BrClFN2O/c1-10-3-4-23-15(8-13(24)9-20)18(22-16(23)5-10)17-11(2)6-12(19)7-14(17)21/h3-7H,8-9H2,1-2H3
InChIKeyTUJLNLVHPYHVFX-UHFFFAOYSA-N
XLogP4.87
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.69
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2-fluoro-6-methylphenyl)-7-methyl-3-(oxiran-2-ylmethyl)imidazo[1,2-a]pyridine
CID 177064329
1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]-3-(dimethyl-λ4-sulfanylidene)propan-2-one
CID 177064355
ethane;1-[2-(2-fluoro-6-methyl-4-prop-2-ynoylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]pentan-2-one;methane;molecular hydrogen
CID 177064339
4-[3-[3-(dimethyl-λ4-sulfanylidene)-2-oxopropyl]-7-methylimidazo[1,2-a]pyridin-2-yl]-3-fluoro-5-methylbenzenesulfonamide
CID 177064418
ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate
CID 177064251
1-[3-fluoro-5-methyl-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]ethanone
CID 177064297
4-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-3,5-difluoro-N-methylbenzamide
CID 134387910
methyl (2S)-2-[[2-(4-cyano-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
CID 154965162
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
4-[[2-[2-fluoro-6-methyl-4-(2-methylbutanoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholin-3-one
CID 154965024
2-(4-bromophenyl)-3-ethyl-7-methylimidazo[1,2-a]pyridine
CID 100820877
2-[[2-[4-[(E)-3-(dimethylamino)prop-2-enoyl]-2,6-difluorophenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylic acid
CID 175044480

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one?
The IUPAC name of 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one (CID 177064451) is 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one.
What is the SMILES notation for 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one?
The canonical SMILES for 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one is Cc1ccn2c(CC(=O)CCl)c(-c3c(C)cc(Br)cc3F)nc2c1.
What is the InChIKey of 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one?
The InChIKey is TUJLNLVHPYHVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN2O/c1-10-3-4-23-15(8-13(24)9-20)18(22-16(23)5-10)17-11(2)6-12(19)7-14(17)21/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one?
1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one has a molecular weight of 409.69 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-chloropropan-2-one is sourced from PubChem (CID 177064451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).