3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide

C40H34BrF4N5O3 — CID 158364936

IUPAC3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(Br)n2c1
InChIInChI=1S/C24H21F2N3O2.C16H13BrF2N2O/c1-14-10-22(31-13-19-20(25)8-5-9-21(19)26)24-27-15(2)23(29(24)12-14)17-6-4-7-18(11-17)28-16(3)30;1-9-6-14(16-20-10(2)15(17)21(16)7-9)22-8-11-12(18)4-3-5-13(11)19/h4-12H,13H2,1-3H3,(H,28,30);3-7H,8H2,1-2H3
InChIKeyGTXNJVPUKOABTR-UHFFFAOYSA-N
MW788.64 g/mol
LogP10.00
Rot. Bonds8

About 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide

3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide (PubChem CID 158364936) has the molecular formula C40H34BrF4N5O3 and a molecular weight of 788.64 g/mol. Its IUPAC name is 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
PubChem CID158364936
Molecular FormulaC40H34BrF4N5O3
Molecular Weight788.64 g/mol
Exact Mass787.18
IUPAC Name3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(Br)n2c1
InChIInChI=1S/C24H21F2N3O2.C16H13BrF2N2O/c1-14-10-22(31-13-19-20(25)8-5-9-21(19)26)24-27-15(2)23(29(24)12-14)17-6-4-7-18(11-17)28-16(3)30;1-9-6-14(16-20-10(2)15(17)21(16)7-9)22-8-11-12(18)4-3-5-13(11)19/h4-12H,13H2,1-3H3,(H,28,30);3-7H,8H2,1-2H3
InChIKeyGTXNJVPUKOABTR-UHFFFAOYSA-N
XLogP10.00
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.64
LogP ≤ 510.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[6-chloro-8-[(3-fluoro-2-pyridinyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 121379899
2-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethanol
CID 86342600
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 86717884
4-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-4-oxobutanenitrile
CID 147595414
N-(2-aminopropyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114683
8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-N-prop-2-enoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 118402064
(2S)-2-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]propanamide
CID 135352460
1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone
CID 157458892
1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl]amino]propan-2-ylcarbamic acid
CID 90114031
N-(2-amino-2-methylpentyl)-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90114235
tert-butyl N-[1-[5-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]carbamate
CID 121308766
8-[(2,6-difluorophenyl)methoxy]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 86724683

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The IUPAC name of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide (CID 158364936) is 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide.
What is the SMILES notation for 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The canonical SMILES for 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(Br)n2c1.
What is the InChIKey of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The InChIKey is GTXNJVPUKOABTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2.C16H13BrF2N2O/c1-14-10-22(31-13-19-20(25)8-5-9-21(19)26)24-27-15(2)23(29(24)12-14)17-6-4-7-18(11-17)28-16(3)30;1-9-6-14(16-20-10(2)15(17)21(16)7-9)22-8-11-12(18)4-3-5-13(11)19/h4-12H,13H2,1-3H3,(H,28,30);3-7H,8H2,1-2H3.
What are the key properties of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide has a molecular weight of 788.64 g/mol, XLogP of 10.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;N-[3-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]acetamide is sourced from PubChem (CID 158364936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).