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

C104H95F15N14O9 — CID 157320050

IUPAC3-(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
SMILESC.C.C.C.CC1=NCC=C1c1ccc(CN2C(=O)C(O)(C(F)(F)F)c3ccccc32)c(F)c1.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)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(CF)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C21H16F4N2O2.2C20H15F4N3O2.C20H17F2N3O2.C19H16FN3O.4CH4/c1-12-15(8-9-26-12)13-6-7-14(17(22)10-13)11-27-18-5-3-2-4-16(18)20(29,19(27)28)21(23,24)25;2*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;1-24-10-15(9-23-24)13-6-7-14(17(22)8-13)11-25-18-5-3-2-4-16(18)20(27,12-21)19(25)26;1-22-11-16(10-21-22)13-6-7-15(17(20)8-13)12-23-18-5-3-2-4-14(18)9-19(23)24;;;;/h2-8,10,29H,9,11H2,1H3;2*2-10,29H,11H2,1H3;2-10,27H,11-12H2,1H3;2-8,10-11H,9,12H2,1H3;4*1H4
InChIKeyBEBAOAGFGWDFQP-UHFFFAOYSA-N
MW1969.96 g/mol
LogP19.82
Rot. Bonds16

About 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

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 (PubChem CID 157320050) has the molecular formula C104H95F15N14O9 and a molecular weight of 1969.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID157320050
Molecular FormulaC104H95F15N14O9
Molecular Weight1969.96 g/mol
Exact Mass1968.72
IUPAC Name3-(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
SMILESC.C.C.C.CC1=NCC=C1c1ccc(CN2C(=O)C(O)(C(F)(F)F)c3ccccc32)c(F)c1.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)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(CF)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1
InChIInChI=1S/C21H16F4N2O2.2C20H15F4N3O2.C20H17F2N3O2.C19H16FN3O.4CH4/c1-12-15(8-9-26-12)13-6-7-14(17(22)10-13)11-27-18-5-3-2-4-16(18)20(29,19(27)28)21(23,24)25;2*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;1-24-10-15(9-23-24)13-6-7-14(17(22)8-13)11-25-18-5-3-2-4-16(18)20(27,12-21)19(25)26;1-22-11-16(10-21-22)13-6-7-15(17(20)8-13)12-23-18-5-3-2-4-14(18)9-19(23)24;;;;/h2-8,10,29H,9,11H2,1H3;2*2-10,29H,11H2,1H3;2-10,27H,11-12H2,1H3;2-8,10-11H,9,12H2,1H3;4*1H4
InChIKeyBEBAOAGFGWDFQP-UHFFFAOYSA-N
XLogP19.82
TPSA266.11 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001969.96
LogP ≤ 519.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Related Compounds

1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one
CID 71540148
1-[[4-(1-Ethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one
CID 71540267
3-Hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one
CID 71540384
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-methylindol-2-one
CID 71540146
3-(Fluoromethyl)-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxyindol-2-one
CID 71540147
1-[[2-Fluoro-4-(1-propylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one
CID 71540268
1-[[2-Fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one
CID 71540269
5-Fluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one
CID 71620820
1-[[2-Fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one
CID 89681880
1-[[3-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one
CID 89681881
1-[[2-Fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one
CID 89681882
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(1-fluoro-2-phenylethyl)-3-hydroxyindol-2-one
CID 90274758

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.CC1=NCC=C1c1ccc(CN2C(=O)C(O)(C(F)(F)F)c3ccccc32)c(F)c1.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)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(CF)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)Cc4ccccc43)c(F)c2)cn1.
What is the InChIKey of 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?
The InChIKey is BEBAOAGFGWDFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O2.2C20H15F4N3O2.C20H17F2N3O2.C19H16FN3O.4CH4/c1-12-15(8-9-26-12)13-6-7-14(17(22)10-13)11-27-18-5-3-2-4-16(18)20(29,19(27)28)21(23,24)25;2*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;1-24-10-15(9-23-24)13-6-7-14(17(22)8-13)11-25-18-5-3-2-4-16(18)20(27,12-21)19(25)26;1-22-11-16(10-21-22)13-6-7-15(17(20)8-13)12-23-18-5-3-2-4-14(18)9-19(23)24;;;;/h2-8,10,29H,9,11H2,1H3;2*2-10,29H,11H2,1H3;2-10,27H,11-12H2,1H3;2-8,10-11H,9,12H2,1H3;4*1H4.
What are the key properties of 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?
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 has a molecular weight of 1969.96 g/mol, XLogP of 19.82, 16 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157320050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).