2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C106H99F13N10O — CID 158737312

About 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole

2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158737312) has the molecular formula C106H99F13N10O and a molecular weight of 1776.00 g/mol. Its IUPAC name is 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158737312
• Molecular Formula: C106H99F13N10O
• Molecular Weight: 1776.00 g/mol
• Exact Mass: 1774.78
• IUPAC Name: 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccc(C(F)(F)F)cc2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C\c2cccc(F)c2)C1.COc1ccc(/C=C\n2c3c(c4cc(F)ccc42)CN(C)CC3)cc1.Cc1ccc2c(c1)c1c(n2/C=C/c2ccc(C(F)(F)F)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2/C=C\c2cccc(C(F)(F)F)c2)CCN(C)C1
• InChI: InChI=1S/2C22H21F3N2.C21H18F4N2.C21H21FN2O.C20H18F2N2/c1-15-3-8-20-18(13-15)19-14-26(2)11-10-21(19)27(20)12-9-16-4-6-17(7-5-16)22(23,24)25;1-15-6-7-20-18(12-15)19-14-26(2)10-9-21(19)27(20)11-8-16-4-3-5-17(13-16)22(23,24)25;1-26-10-9-20-18(13-26)17-12-16(22)6-7-19(17)27(20)11-8-14-2-4-15(5-3-14)21(23,24)25;1-23-11-10-21-19(14-23)18-13-16(22)5-8-20(18)24(21)12-9-15-3-6-17(25-2)7-4-15;1-23-9-8-20-18(13-23)17-12-16(22)5-6-19(17)24(20)10-7-14-3-2-4-15(21)11-14/h3-9,12-13H,10-11,14H2,1-2H3;3-8,11-13H,9-10,14H2,1-2H3;2-8,11-12H,9-10,13H2,1H3;3-9,12-13H,10-11,14H2,1-2H3;2-7,10-12H,8-9,13H2,1H3/b12-9+;11-8-;11-8+;12-9-;10-7-
• InChIKey: ILVMDQHDNNQFHE-MNFSBEGXSA-N
• XLogP: 25.52
• TPSA: 50.08 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1776.00
LogP ≤ 5	25.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158737312) is 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(F)ccc3n2/C=C/c2ccc(C(F)(F)F)cc2)C1.CN1CCc2c(c3cc(F)ccc3n2/C=C\c2cccc(F)c2)C1.COc1ccc(/C=C\n2c3c(c4cc(F)ccc42)CN(C)CC3)cc1.Cc1ccc2c(c1)c1c(n2/C=C/c2ccc(C(F)(F)F)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2/C=C\c2cccc(C(F)(F)F)c2)CCN(C)C1.

What is the InChIKey of 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is ILVMDQHDNNQFHE-MNFSBEGXSA-N. The full InChI is InChI=1S/2C22H21F3N2.C21H18F4N2.C21H21FN2O.C20H18F2N2/c1-15-3-8-20-18(13-15)19-14-26(2)11-10-21(19)27(20)12-9-16-4-6-17(7-5-16)22(23,24)25;1-15-6-7-20-18(12-15)19-14-26(2)10-9-21(19)27(20)11-8-16-4-3-5-17(13-16)22(23,24)25;1-26-10-9-20-18(13-26)17-12-16(22)6-7-19(17)27(20)11-8-14-2-4-15(5-3-14)21(23,24)25;1-23-11-10-21-19(14-23)18-13-16(22)5-8-20(18)24(21)12-9-15-3-6-17(25-2)7-4-15;1-23-9-8-20-18(13-23)17-12-16(22)5-6-19(17)24(20)10-7-14-3-2-4-15(21)11-14/h3-9,12-13H,10-11,14H2,1-2H3;3-8,11-13H,9-10,14H2,1-2H3;2-8,11-12H,9-10,13H2,1H3;3-9,12-13H,10-11,14H2,1-2H3;2-7,10-12H,8-9,13H2,1H3/b12-9+;11-8-;11-8+;12-9-;10-7-.

What are the key properties of 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole?

2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1776.00 g/mol, XLogP of 25.52, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethyl-5-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(3-fluorophenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158737312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).