3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate

C87H75BrF10N12O9 — CID 158092714

IUPAC3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3cn[nH]c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(Br)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)O)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)cn2c1
InChIInChI=1S/C19H16F2N4O.C19H18F2N2O3.C17H14F2N2O3.C16H13BrF2N2O.C16H14F2N2O/c1-11-6-17(26-10-14-15(20)4-3-5-16(14)21)19-24-12(2)18(25(19)9-11)13-7-22-23-8-13;1-4-25-19(24)17-12(3)22-18-16(8-11(2)9-23(17)18)26-10-13-14(20)6-5-7-15(13)21;1-9-6-14(24-8-11-12(18)4-3-5-13(11)19)16-20-10(2)15(17(22)23)21(16)7-9;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;1-10-6-15(16-19-11(2)8-20(16)7-10)21-9-12-13(17)4-3-5-14(12)18/h3-9H,10H2,1-2H3,(H,22,23);5-9H,4,10H2,1-3H3;3-7H,8H2,1-2H3,(H,22,23);3-7H,8H2,1-2H3;3-8H,9H2,1-2H3
InChIKeyFOHLUXHEHFUOIV-UHFFFAOYSA-N
MW1702.52 g/mol
LogP20.07
Rot. Bonds19

About 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate

3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 158092714) has the molecular formula C87H75BrF10N12O9 and a molecular weight of 1702.52 g/mol. Its IUPAC name is 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID158092714
Molecular FormulaC87H75BrF10N12O9
Molecular Weight1702.52 g/mol
Exact Mass1700.48
IUPAC Name3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3cn[nH]c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(Br)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)O)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)cn2c1
InChIInChI=1S/C19H16F2N4O.C19H18F2N2O3.C17H14F2N2O3.C16H13BrF2N2O.C16H14F2N2O/c1-11-6-17(26-10-14-15(20)4-3-5-16(14)21)19-24-12(2)18(25(19)9-11)13-7-22-23-8-13;1-4-25-19(24)17-12(3)22-18-16(8-11(2)9-23(17)18)26-10-13-14(20)6-5-7-15(13)21;1-9-6-14(24-8-11-12(18)4-3-5-13(11)19)16-20-10(2)15(17(22)23)21(16)7-9;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;1-10-6-15(16-19-11(2)8-20(16)7-10)21-9-12-13(17)4-3-5-14(12)18/h3-9H,10H2,1-2H3,(H,22,23);5-9H,4,10H2,1-3H3;3-7H,8H2,1-2H3,(H,22,23);3-7H,8H2,1-2H3;3-8H,9H2,1-2H3
InChIKeyFOHLUXHEHFUOIV-UHFFFAOYSA-N
XLogP20.07
TPSA224.93 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.52
LogP ≤ 520.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate (CID 158092714) is 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1c(C)nc2c(OCc3c(F)cccc3F)cc(C)cn12.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(-c3cn[nH]c3)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(Br)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)O)n2c1.Cc1cc(OCc2c(F)cccc2F)c2nc(C)cn2c1.
What is the InChIKey of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is FOHLUXHEHFUOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O.C19H18F2N2O3.C17H14F2N2O3.C16H13BrF2N2O.C16H14F2N2O/c1-11-6-17(26-10-14-15(20)4-3-5-16(14)21)19-24-12(2)18(25(19)9-11)13-7-22-23-8-13;1-4-25-19(24)17-12(3)22-18-16(8-11(2)9-23(17)18)26-10-13-14(20)6-5-7-15(13)21;1-9-6-14(24-8-11-12(18)4-3-5-13(11)19)16-20-10(2)15(17(22)23)21(16)7-9;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;1-10-6-15(16-19-11(2)8-20(16)7-10)21-9-12-13(17)4-3-5-14(12)18/h3-9H,10H2,1-2H3,(H,22,23);5-9H,4,10H2,1-3H3;3-7H,8H2,1-2H3,(H,22,23);3-7H,8H2,1-2H3;3-8H,9H2,1-2H3.
What are the key properties of 3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate?
3-bromo-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 1702.52 g/mol, XLogP of 20.07, 19 rotatable bonds, 2 hydrogen bond donors, and 19 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;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;8-[(2,6-difluorophenyl)methoxy]-2,6-dimethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 158092714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).