1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane

C88H79F15N12O8 — CID 159398524

IUPAC1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
SMILESC.C.C.C.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cn2)cn1.Cn1cc2cccc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)c2c1
InChIInChI=1S/C25H18F4N2O2.2C20H15F4N3O2.C19H15F3N4O2.4CH4/c1-30-12-16-5-4-6-18(19(16)14-30)15-9-10-17(21(26)11-15)13-31-22-8-3-2-7-20(22)24(33,23(31)32)25(27,28)29;2*1-26-11-13(9-25-26)14-7-6-12(8-16(14)21)10-27-17-5-3-2-4-15(17)19(29,18(27)28)20(22,23)24;1-25-11-13(9-24-25)15-7-6-12(8-23-15)10-26-16-5-3-2-4-14(16)18(28,17(26)27)19(20,21)22;;;;/h2-12,14,33H,13H2,1H3;2*2-9,11,29H,10H2,1H3;2-9,11,28H,10H2,1H3;4*1H4
InChIKeyLNARSNGDDZPDJM-UHFFFAOYSA-N
MW1717.65 g/mol
LogP17.65
Rot. Bonds12

About 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane

1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane (PubChem CID 159398524) has the molecular formula C88H79F15N12O8 and a molecular weight of 1717.65 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane.

Molecular Properties

Compound Name1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
PubChem CID159398524
Molecular FormulaC88H79F15N12O8
Molecular Weight1717.65 g/mol
Exact Mass1716.59
IUPAC Name1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
SMILESC.C.C.C.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cn2)cn1.Cn1cc2cccc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)c2c1
InChIInChI=1S/C25H18F4N2O2.2C20H15F4N3O2.C19H15F3N4O2.4CH4/c1-30-12-16-5-4-6-18(19(16)14-30)15-9-10-17(21(26)11-15)13-31-22-8-3-2-7-20(22)24(33,23(31)32)25(27,28)29;2*1-26-11-13(9-25-26)14-7-6-12(8-16(14)21)10-27-17-5-3-2-4-15(17)19(29,18(27)28)20(22,23)24;1-25-11-13(9-24-25)15-7-6-12(8-23-15)10-26-16-5-3-2-4-14(16)18(28,17(26)27)19(20,21)22;;;;/h2-12,14,33H,13H2,1H3;2*2-9,11,29H,10H2,1H3;2-9,11,28H,10H2,1H3;4*1H4
InChIKeyLNARSNGDDZPDJM-UHFFFAOYSA-N
XLogP17.65
TPSA233.44 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001717.65
LogP ≤ 517.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane with MolForge

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Related Compounds

bis((3R)-1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-(trifluoromethyl)indol-2-one);bis((3S)-1-benzyl-3-hydroxy-3-(1H-indol-3-yl)-7-(trifluoromethyl)indol-2-one)
CID 139051028
1-[[2-Fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
CID 157156999
1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[6-(1-methyl-4H-pyrazol-1-ium-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
CID 157209490
3-(fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one;bis(1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;1-[[2-fluoro-4-(5-methyl-2H-pyrrol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane
CID 157320050
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-3H-indol-2-one;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-5-(1H-pyrazol-4-yl)-3H-indol-2-one;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(5-methyl-1H-pyrazol-3-yl)indol-1-yl]methyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
CID 157390796
3-amino-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;1-[[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane
CID 157461898
1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide;1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indole-5-carboxamide;1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[[4-(5-oxopyrrolidin-2-yl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide;1-[(4-propan-2-ylphenyl)methyl]indole-5-carboxamide
CID 157651286
1-[[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[4-(1-ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;5-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(5-methyl-2H-pyrrol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane
CID 158020124
3-Amino-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
CID 158022671
1-[[3-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane
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3-(dimethylamino)-3-methyl-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indol-2-one;5-fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-methylindol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-methyl-3H-indol-2-one;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
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4-[(5-acetamidoindol-1-yl)methyl]benzamide;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]-2-methoxyacetamide;N-[1-[[4-(5-methyl-1H-pyrazol-3-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide;N-[1-[[4-(1,1,1-trifluoropropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
CID 158629485

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane?
The IUPAC name of 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane (CID 159398524) is 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane.
What is the SMILES notation for 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane?
The canonical SMILES for 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane is C.C.C.C.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cn2)cn1.Cn1cc2cccc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)c2c1.
What is the InChIKey of 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane?
The InChIKey is LNARSNGDDZPDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O2.2C20H15F4N3O2.C19H15F3N4O2.4CH4/c1-30-12-16-5-4-6-18(19(16)14-30)15-9-10-17(21(26)11-15)13-31-22-8-3-2-7-20(22)24(33,23(31)32)25(27,28)29;2*1-26-11-13(9-25-26)14-7-6-12(8-16(14)21)10-27-17-5-3-2-4-15(17)19(29,18(27)28)20(22,23)24;1-25-11-13(9-24-25)15-7-6-12(8-23-15)10-26-16-5-3-2-4-14(16)18(28,17(26)27)19(20,21)22;;;;/h2-12,14,33H,13H2,1H3;2*2-9,11,29H,10H2,1H3;2-9,11,28H,10H2,1H3;4*1H4.
What are the key properties of 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane?
1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane has a molecular weight of 1717.65 g/mol, XLogP of 17.65, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;bis(1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one);3-hydroxy-1-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)indol-2-one;methane is sourced from PubChem (CID 159398524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).