7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine

C16H13BrF2N2O2 — CID 174363759

IUPAC7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3cc(Br)ccn23)cc(OC(F)F)c1C
InChIInChI=1S/C16H13BrF2N2O2/c1-9-13(22-2)5-10(6-14(9)23-16(18)19)12-8-20-15-7-11(17)3-4-21(12)15/h3-8,16H,1-2H3
InChIKeyZTHVWTSCSOSNEZ-UHFFFAOYSA-N
MW383.19 g/mol
LogP4.68
Rot. Bonds4

About 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine

7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine (PubChem CID 174363759) has the molecular formula C16H13BrF2N2O2 and a molecular weight of 383.19 g/mol. Its IUPAC name is 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
PubChem CID174363759
Molecular FormulaC16H13BrF2N2O2
Molecular Weight383.19 g/mol
Exact Mass382.01
IUPAC Name7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine
SMILESCOc1cc(-c2cnc3cc(Br)ccn23)cc(OC(F)F)c1C
InChIInChI=1S/C16H13BrF2N2O2/c1-9-13(22-2)5-10(6-14(9)23-16(18)19)12-8-20-15-7-11(17)3-4-21(12)15/h3-8,16H,1-2H3
InChIKeyZTHVWTSCSOSNEZ-UHFFFAOYSA-N
XLogP4.68
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.19
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7-bromoimidazo[1,2-a]pyridin-3-yl)-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide;7-bromo-3-iodoimidazo[1,2-a]pyridine
CID 162180255
2-[3-[3-(difluoromethoxy)-4,5-dimethylphenyl]imidazo[1,2-a]pyridin-7-yl]-2-methylpropanenitrile
CID 174364506
4-[7-(2-cyanopropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzoic acid
CID 155349483
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-(7-methoxyimidazo[1,2-a]pyridin-3-yl)benzamide
CID 146275227
N-cyclopropylformamide;2-[3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridin-7-yl]-1-morpholin-4-ylpropan-2-ol
CID 155727628
2-cyclopropyl-1-[2-(difluoromethoxy)-4-[7-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]ethanone
CID 167591166
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(6-methylpyridazin-3-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 154636406
2-cyclopropyl-1-[2-(difluoromethoxy)-6-methoxy-4-[7-(3-methoxypentan-3-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 167688915
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[7-(2-methyl-3-oxobutan-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 166009657
N-cyclopropyl-2-(difluoromethoxy)-4-[7-(2-hydroxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-methoxybenzamide
CID 146273347
tert-butyl 4-[7-(3-aminooxetan-3-yl)imidazo[1,2-a]pyridin-3-yl]-2-(difluoromethoxy)-6-methoxybenzoate
CID 155349746
1-[2-(difluoromethoxy)-4-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]-6-methoxyphenyl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone
CID 167626094

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine (CID 174363759) is 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine is COc1cc(-c2cnc3cc(Br)ccn23)cc(OC(F)F)c1C.
What is the InChIKey of 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine?
The InChIKey is ZTHVWTSCSOSNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2N2O2/c1-9-13(22-2)5-10(6-14(9)23-16(18)19)12-8-20-15-7-11(17)3-4-21(12)15/h3-8,16H,1-2H3.
What are the key properties of 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine?
7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine has a molecular weight of 383.19 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[3-(difluoromethoxy)-5-methoxy-4-methylphenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 174363759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).