2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C47H42F6N6O6 — CID 165027955

IUPAC2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(O)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(Cc1cc(OCc2ccccc2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H24F3N3O3.C20H18F3N3O3/c28-27(29,30)25-8-4-7-21(31-25)23(34)13-19-14-24(36-17-18-5-2-1-3-6-18)26-32-22(16-33(26)15-19)20-9-11-35-12-10-20;21-20(22,23)18-3-1-2-14(24-18)16(27)8-12-9-17(28)19-25-15(11-26(19)10-12)13-4-6-29-7-5-13/h1-8,14-16,20H,9-13,17H2;1-3,9-11,13,28H,4-8H2
InChIKeyMENWRXHBJKJSJX-UHFFFAOYSA-N
MW900.88 g/mol
LogP9.42
Rot. Bonds11

About 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165027955) has the molecular formula C47H42F6N6O6 and a molecular weight of 900.88 g/mol. Its IUPAC name is 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165027955
Molecular FormulaC47H42F6N6O6
Molecular Weight900.88 g/mol
Exact Mass900.31
IUPAC Name2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cc(O)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(Cc1cc(OCc2ccccc2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C27H24F3N3O3.C20H18F3N3O3/c28-27(29,30)25-8-4-7-21(31-25)23(34)13-19-14-24(36-17-18-5-2-1-3-6-18)26-32-22(16-33(26)15-19)20-9-11-35-12-10-20;21-20(22,23)18-3-1-2-14(24-18)16(27)8-12-9-17(28)19-25-15(11-26(19)10-12)13-4-6-29-7-5-13/h1-8,14-16,20H,9-13,17H2;1-3,9-11,13,28H,4-8H2
InChIKeyMENWRXHBJKJSJX-UHFFFAOYSA-N
XLogP9.42
TPSA142.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500900.88
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Related Compounds

4-(4-Fluorophenyl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)picolinamide
CID 122539744
N-(3-hydroxy-2-pyridinyl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 25503989
(3-Chloro-6-furan-3-yl-8-trifluoromethyl-imidazo[1,2-a]pyridin-2-yl)-(3-hydroxy-3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-yl)-methanone
CID 46864912
4-[3-[4-[1H-benzimidazol-2-yl(difluoro)methyl]phenoxy]pyrazin-2-yl]morpholine;1H-benzimidazol-2-yl-[4-[3-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]methanone
CID 67384173
[4-(3-Fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]-[6-(furan-3-yl)-3-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 70866361
2-[[5-(3,6-Dimethyl-2-pyridinyl)cyclooctyl]methyl]-8-(2-fluorobutan-2-yl)-6-(furan-3-yl)imidazo[1,2-a]pyridin-3-ol
CID 91250107
5-[3-[[2-(Difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxylic acid
CID 118235616
2-(furan-2-ylmethyl)-6-phenyl-8-[2-(trifluoromethyl)-2H-pyridin-1-yl]imidazo[1,2-a]pyrazin-3-ol
CID 137277040
8-(6-Fluoro-3-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137285352
2-(Furan-2-ylmethyl)-6-phenyl-8-[2-(trifluoromethyl)pyridin-4-yl]imidazo[1,2-a]pyrazin-3-ol
CID 137285363
8-(2-Fluoro-3-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137285409
8-(2-Fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-ol
CID 137285415

Frequently Asked Questions

What is the IUPAC name of 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165027955) is 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cc(O)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(Cc1cc(OCc2ccccc2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is MENWRXHBJKJSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O3.C20H18F3N3O3/c28-27(29,30)25-8-4-7-21(31-25)23(34)13-19-14-24(36-17-18-5-2-1-3-6-18)26-32-22(16-33(26)15-19)20-9-11-35-12-10-20;21-20(22,23)18-3-1-2-14(24-18)16(27)8-12-9-17(28)19-25-15(11-26(19)10-12)13-4-6-29-7-5-13/h1-8,14-16,20H,9-13,17H2;1-3,9-11,13,28H,4-8H2.
What are the key properties of 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 900.88 g/mol, XLogP of 9.42, 11 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(oxan-4-yl)-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165027955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).