1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane

C113H99F17N14O9 — CID 159678119

IUPAC1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane
SMILESC.C.C.C.CC(c1ccc(-c2cnn(C)c2)cc1F)N1C(=O)Cc2ccccc21.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc2cc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)ccc2n1.Cn1cc2cccc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)c2c1
InChIInChI=1S/C25H18F4N2O2.C24H17F4N3O2.2C20H15F4N3O2.C20H18FN3O.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;1-30-12-17-10-14(8-9-20(17)29-30)15-6-7-16(19(25)11-15)13-31-21-5-3-2-4-18(21)23(33,22(31)32)24(26,27)28;1-26-10-14(9-25-26)12-6-7-13(16(21)8-12)11-27-17-5-3-2-4-15(17)19(29,18(27)28)20(22,23)24;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;1-13(24-19-6-4-3-5-15(19)10-20(24)25)17-8-7-14(9-18(17)21)16-11-22-23(2)12-16;;;;/h2-12,14,33H,13H2,1H3;2-12,33H,13H2,1H3;2-10,29H,11H2,1H3;2-9,11,29H,10H2,1H3;3-9,11-13H,10H2,1-2H3;4*1H4
InChIKeyMUWGDQFMTYYLRA-UHFFFAOYSA-N
MW2120.09 g/mol
LogP23.42
Rot. Bonds15

About 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane

1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane (PubChem CID 159678119) has the molecular formula C113H99F17N14O9 and a molecular weight of 2120.09 g/mol. Its IUPAC name is 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane.

Molecular Properties

Compound Name1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane
PubChem CID159678119
Molecular FormulaC113H99F17N14O9
Molecular Weight2120.09 g/mol
Exact Mass2118.74
IUPAC Name1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane
SMILESC.C.C.C.CC(c1ccc(-c2cnn(C)c2)cc1F)N1C(=O)Cc2ccccc21.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc2cc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)ccc2n1.Cn1cc2cccc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)c2c1
InChIInChI=1S/C25H18F4N2O2.C24H17F4N3O2.2C20H15F4N3O2.C20H18FN3O.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;1-30-12-17-10-14(8-9-20(17)29-30)15-6-7-16(19(25)11-15)13-31-21-5-3-2-4-18(21)23(33,22(31)32)24(26,27)28;1-26-10-14(9-25-26)12-6-7-13(16(21)8-12)11-27-17-5-3-2-4-15(17)19(29,18(27)28)20(22,23)24;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;1-13(24-19-6-4-3-5-15(19)10-20(24)25)17-8-7-14(9-18(17)21)16-11-22-23(2)12-16;;;;/h2-12,14,33H,13H2,1H3;2-12,33H,13H2,1H3;2-10,29H,11H2,1H3;2-9,11,29H,10H2,1H3;3-9,11-13H,10H2,1-2H3;4*1H4
InChIKeyMUWGDQFMTYYLRA-UHFFFAOYSA-N
XLogP23.42
TPSA258.68 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms153
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002120.09
LogP ≤ 523.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane?
The IUPAC name of 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane (CID 159678119) is 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane.
What is the SMILES notation for 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane?
The canonical SMILES for 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane is C.C.C.C.CC(c1ccc(-c2cnn(C)c2)cc1F)N1C(=O)Cc2ccccc21.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2F)cn1.Cn1cc2cc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)ccc2n1.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-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane?
The InChIKey is MUWGDQFMTYYLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N2O2.C24H17F4N3O2.2C20H15F4N3O2.C20H18FN3O.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;1-30-12-17-10-14(8-9-20(17)29-30)15-6-7-16(19(25)11-15)13-31-21-5-3-2-4-18(21)23(33,22(31)32)24(26,27)28;1-26-10-14(9-25-26)12-6-7-13(16(21)8-12)11-27-17-5-3-2-4-15(17)19(29,18(27)28)20(22,23)24;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;1-13(24-19-6-4-3-5-15(19)10-20(24)25)17-8-7-14(9-18(17)21)16-11-22-23(2)12-16;;;;/h2-12,14,33H,13H2,1H3;2-12,33H,13H2,1H3;2-10,29H,11H2,1H3;2-9,11,29H,10H2,1H3;3-9,11-13H,10H2,1-2H3;4*1H4.
What are the key properties of 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane?
1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane has a molecular weight of 2120.09 g/mol, XLogP of 23.42, 15 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[2-fluoro-4-(2-methylisoindol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-indol-2-one;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;1-[[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;methane is sourced from PubChem (CID 159678119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).