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

C107H110F10N16O8 — CID 158414734

IUPAC3-(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
SMILESC.C.C.C.C.CC1C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21.CN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)c2ccccc21.Cn1cc(-c2ccc(CN3C(=O)C(C)(O)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4cc(F)ccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1
InChIInChI=1S/C22H24N4O.C20H14F5N3O2.C20H16F3N3O2.C20H18FN3O2.C20H18FN3O.5CH4/c1-22(24(2)3)19-7-5-6-8-20(19)26(21(22)27)14-16-9-11-17(12-10-16)18-13-23-25(4)15-18;1-27-9-13(8-26-27)11-2-3-12(16(22)6-11)10-28-17-5-4-14(21)7-15(17)19(30,18(28)29)20(23,24)25;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;1-20(26)16-5-3-4-6-18(16)24(19(20)25)12-14-8-7-13(9-17(14)21)15-10-22-23(2)11-15;1-13-17-5-3-4-6-19(17)24(20(13)25)12-15-8-7-14(9-18(15)21)16-10-22-23(2)11-16;;;;;/h5-13,15H,14H2,1-4H3;2-9,30H,10H2,1H3;2-10,12,28H,11H2,1H3;3-11,26H,12H2,1-2H3;3-11,13H,12H2,1-2H3;5*1H4
InChIKeyGZTBKMHFNLKIAK-UHFFFAOYSA-N
MW1938.14 g/mol
LogP20.49
Rot. Bonds16

About 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

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 (PubChem CID 158414734) has the molecular formula C107H110F10N16O8 and a molecular weight of 1938.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID158414734
Molecular FormulaC107H110F10N16O8
Molecular Weight1938.14 g/mol
Exact Mass1936.85
IUPAC Name3-(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
SMILESC.C.C.C.C.CC1C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21.CN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)c2ccccc21.Cn1cc(-c2ccc(CN3C(=O)C(C)(O)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4cc(F)ccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1
InChIInChI=1S/C22H24N4O.C20H14F5N3O2.C20H16F3N3O2.C20H18FN3O2.C20H18FN3O.5CH4/c1-22(24(2)3)19-7-5-6-8-20(19)26(21(22)27)14-16-9-11-17(12-10-16)18-13-23-25(4)15-18;1-27-9-13(8-26-27)11-2-3-12(16(22)6-11)10-28-17-5-4-14(21)7-15(17)19(30,18(28)29)20(23,24)25;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;1-20(26)16-5-3-4-6-18(16)24(19(20)25)12-14-8-7-13(9-17(14)21)15-10-22-23(2)11-15;1-13-17-5-3-4-6-19(17)24(20(13)25)12-15-8-7-14(9-18(15)21)16-10-22-23(2)11-16;;;;;/h5-13,15H,14H2,1-4H3;2-9,30H,10H2,1H3;2-10,12,28H,11H2,1H3;3-11,26H,12H2,1-2H3;3-11,13H,12H2,1-2H3;5*1H4
InChIKeyGZTBKMHFNLKIAK-UHFFFAOYSA-N
XLogP20.49
TPSA254.58 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.14
LogP ≤ 520.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158414734) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.CC1C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2F)c2ccccc21.CN(C)C1(C)C(=O)N(Cc2ccc(-c3cnn(C)c3)cc2)c2ccccc21.Cn1cc(-c2ccc(CN3C(=O)C(C)(O)c4ccccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4cc(F)ccc43)c(F)c2)cn1.Cn1cc(-c2ccc(CN3C(=O)C(O)(C(F)(F)F)c4ccccc43)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is GZTBKMHFNLKIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.C20H14F5N3O2.C20H16F3N3O2.C20H18FN3O2.C20H18FN3O.5CH4/c1-22(24(2)3)19-7-5-6-8-20(19)26(21(22)27)14-16-9-11-17(12-10-16)18-13-23-25(4)15-18;1-27-9-13(8-26-27)11-2-3-12(16(22)6-11)10-28-17-5-4-14(21)7-15(17)19(30,18(28)29)20(23,24)25;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;1-20(26)16-5-3-4-6-18(16)24(19(20)25)12-14-8-7-13(9-17(14)21)15-10-22-23(2)11-15;1-13-17-5-3-4-6-19(17)24(20(13)25)12-15-8-7-14(9-18(15)21)16-10-22-23(2)11-16;;;;;/h5-13,15H,14H2,1-4H3;2-9,30H,10H2,1H3;2-10,12,28H,11H2,1H3;3-11,26H,12H2,1-2H3;3-11,13H,12H2,1-2H3;5*1H4.
What are the key properties of 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?
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 has a molecular weight of 1938.14 g/mol, XLogP of 20.49, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158414734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).