3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane

C89H85F12N13O7 — CID 159704334

IUPAC3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
SMILESC.C.C.C.CC(C)n1cc(-c2ccc(CN3C(=O)C(N)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)(C(F)(F)F)c4ccccc43)cc2)cn1.Cn1cc2cc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)ccc2n1
InChIInChI=1S/C24H17F4N3O2.C21H21FN4O.C20H15F4N3O2.C20H16F3N3O2.4CH4/c1-30-12-17-10-14(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;1-13(2)26-12-16(10-24-26)14-7-8-15(18(22)9-14)11-25-19-6-4-3-5-17(19)20(23)21(25)27;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;1-25-12-15(10-24-25)14-8-6-13(7-9-14)11-26-17-5-3-2-4-16(17)19(28,18(26)27)20(21,22)23;;;;/h2-12,33H,13H2,1H3;3-10,12-13,20H,11,23H2,1-2H3;2-10,29H,11H2,1H3;2-10,12,28H,11H2,1H3;4*1H4
InChIKeyMYAFBEILNUUSDW-UHFFFAOYSA-N
MW1676.72 g/mol
LogP17.94
Rot. Bonds13

About 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane

3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane (PubChem CID 159704334) has the molecular formula C89H85F12N13O7 and a molecular weight of 1676.72 g/mol. Its IUPAC name is 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane.

Molecular Properties

Compound Name3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
PubChem CID159704334
Molecular FormulaC89H85F12N13O7
Molecular Weight1676.72 g/mol
Exact Mass1675.65
IUPAC Name3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane
SMILESC.C.C.C.CC(C)n1cc(-c2ccc(CN3C(=O)C(N)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)(C(F)(F)F)c4ccccc43)cc2)cn1.Cn1cc2cc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)ccc2n1
InChIInChI=1S/C24H17F4N3O2.C21H21FN4O.C20H15F4N3O2.C20H16F3N3O2.4CH4/c1-30-12-17-10-14(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;1-13(2)26-12-16(10-24-26)14-7-8-15(18(22)9-14)11-25-19-6-4-3-5-17(19)20(23)21(25)27;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;1-25-12-15(10-24-25)14-8-6-13(7-9-14)11-26-17-5-3-2-4-16(17)19(28,18(26)27)20(21,22)23;;;;/h2-12,33H,13H2,1H3;3-10,12-13,20H,11,23H2,1-2H3;2-10,29H,11H2,1H3;2-10,12,28H,11H2,1H3;4*1H4
InChIKeyMYAFBEILNUUSDW-UHFFFAOYSA-N
XLogP17.94
TPSA239.23 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001676.72
LogP ≤ 517.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]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
CID 89681880
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
4-[4-(bromomethyl)-3-fluorophenyl]-1-methylpyrazole;1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-hydroxy-3-(trifluoromethyl)indol-2-one;3-hydroxy-3-(trifluoromethyl)-1H-indol-2-one
CID 157429568
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-[[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-[(4-tert-butylphenyl)methyl]-5-(1H-pyrazol-4-yl)-2,3-dihydroindole;5-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]pyrrolidin-2-one;1,1,1-trifluoro-2-[4-[[5-(1H-pyrazol-4-yl)-2,3-dihydroindol-1-yl]methyl]phenyl]propan-2-ol
CID 158040892
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
CID 158207047

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane?
The IUPAC name of 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane (CID 159704334) is 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane.
What is the SMILES notation for 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane?
The canonical SMILES for 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane is C.C.C.C.CC(C)n1cc(-c2ccc(CN3C(=O)C(N)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)(C(F)(F)F)c4ccccc43)cc2)cn1.Cn1cc2cc(-c3ccc(CN4C(=O)C(O)(C(F)(F)F)c5ccccc54)c(F)c3)ccc2n1.
What is the InChIKey of 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane?
The InChIKey is MYAFBEILNUUSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O2.C21H21FN4O.C20H15F4N3O2.C20H16F3N3O2.4CH4/c1-30-12-17-10-14(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;1-13(2)26-12-16(10-24-26)14-7-8-15(18(22)9-14)11-25-19-6-4-3-5-17(19)20(23)21(25)27;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;1-25-12-15(10-24-25)14-8-6-13(7-9-14)11-26-17-5-3-2-4-16(17)19(28,18(26)27)20(21,22)23;;;;/h2-12,33H,13H2,1H3;3-10,12-13,20H,11,23H2,1-2H3;2-10,29H,11H2,1H3;2-10,12,28H,11H2,1H3;4*1H4.
What are the key properties of 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane?
3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane has a molecular weight of 1676.72 g/mol, XLogP of 17.94, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[2-fluoro-4-(1-propan-2-ylpyrazol-4-yl)phenyl]methyl]-3H-indol-2-one;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;3-hydroxy-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)indol-2-one;methane is sourced from PubChem (CID 159704334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).