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

C41H38F6N6O6 — CID 165106101

IUPAC2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(Cc1cc(O)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H20F3N3O3.C20H18F3N3O3/c1-29-18-10-13(9-17(28)15-3-2-4-19(25-15)21(22,23)24)11-27-12-16(26-20(18)27)14-5-7-30-8-6-14;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/h2-4,10-12,14H,5-9H2,1H3;1-3,9-11,13,28H,4-8H2
InChIKeyZDPVLXKWKAWZBF-UHFFFAOYSA-N
MW824.78 g/mol
LogP7.85
Rot. Bonds9

About 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-methoxy-2-(oxan-4-yl)imidazo[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-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165106101) has the molecular formula C41H38F6N6O6 and a molecular weight of 824.78 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-[8-methoxy-2-(oxan-4-yl)imidazo[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-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165106101
Molecular FormulaC41H38F6N6O6
Molecular Weight824.78 g/mol
Exact Mass824.28
IUPAC Name2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCOc1cc(CC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(Cc1cc(O)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C21H20F3N3O3.C20H18F3N3O3/c1-29-18-10-13(9-17(28)15-3-2-4-19(25-15)21(22,23)24)11-27-12-16(26-20(18)27)14-5-7-30-8-6-14;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/h2-4,10-12,14H,5-9H2,1H3;1-3,9-11,13,28H,4-8H2
InChIKeyZDPVLXKWKAWZBF-UHFFFAOYSA-N
XLogP7.85
TPSA142.44 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.78
LogP ≤ 57.85
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-[8-methoxy-2-(oxan-4-yl)imidazo[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
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
2-(Furan-2-ylmethyl)-6-phenyl-8-[2-(trifluoromethyl)pyridin-4-yl]imidazo[1,2-a]pyrazin-3-ol
CID 137285363
6,8-Bis(2-fluoro-4-pyridinyl)-2-(furan-2-ylmethyl)imidazo[1,2-a]pyrazin-3-ol
CID 137299700
1-[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(6-methyl-3-pyridinyl)butan-1-one
CID 147541497
1-[8-[(2,3-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-(hydroxymethyl)-3-pyridin-2-ylbutan-1-one
CID 147639793
1-[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[2-(hydroxymethyl)-4-pyridinyl]-3-methylbutan-1-one
CID 147791374
2-(1-Azabicyclo[2.2.2]octan-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]ethanone
CID 148108288
7,7,8,8,8-Pentafluoro-1-[8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]-3-(2-hydroxypropan-2-yl)octan-1-one
CID 148329001
(3S)-1-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-(morpholin-4-ylmethyl)heptan-1-one
CID 149291733

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-[8-methoxy-2-(oxan-4-yl)imidazo[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-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165106101) is 2-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[8-methoxy-2-(oxan-4-yl)imidazo[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-[8-methoxy-2-(oxan-4-yl)imidazo[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-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is COc1cc(CC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(Cc1cc(O)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-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is ZDPVLXKWKAWZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O3.C20H18F3N3O3/c1-29-18-10-13(9-17(28)15-3-2-4-19(25-15)21(22,23)24)11-27-12-16(26-20(18)27)14-5-7-30-8-6-14;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/h2-4,10-12,14H,5-9H2,1H3;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-[8-methoxy-2-(oxan-4-yl)imidazo[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-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 824.78 g/mol, XLogP of 7.85, 9 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-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165106101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).