6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene

C90H109F3N14O2 — CID 159050496

About 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene

6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene (PubChem CID 159050496) has the molecular formula C90H109F3N14O2 and a molecular weight of 1475.95 g/mol. Its IUPAC name is 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene.

Molecular Properties

• Compound Name: 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
• PubChem CID: 159050496
• Molecular Formula: C90H109F3N14O2
• Molecular Weight: 1475.95 g/mol
• Exact Mass: 1474.88
• IUPAC Name: 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
• SMILES: CN1Cc2c(n(CCc3ccc(C(F)(F)F)nc3)c3ncccc23)C(C)(C)C1.Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cc1C)CCN(C)C3.Cc1ccc2c(c1)c1c(n2CC(CC(=O)C(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(CN)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C26H33N3O.C22H27N3O.C21H23F3N4.C21H26N4/c1-18-6-7-23-21(14-18)22-17-28(5)13-10-24(22)29(23)16-20(15-25(30)26(2,3)4)19-8-11-27-12-9-19;1-15-10-18-19-13-24(4)9-7-20(19)25(21(18)11-16(15)2)14-22(3,26)17-6-5-8-23-12-17;1-20(2)13-27(3)12-16-15-5-4-9-25-19(15)28(18(16)20)10-8-14-6-7-17(26-11-14)21(22,23)24;1-15-3-4-20-18(11-15)19-14-24(2)10-7-21(19)25(20)13-17(12-22)16-5-8-23-9-6-16/h6-9,11-12,14,20H,10,13,15-17H2,1-5H3;5-6,8,10-12,26H,7,9,13-14H2,1-4H3;4-7,9,11H,8,10,12-13H2,1-3H3;3-6,8-9,11,17H,7,10,12-14,22H2,1-2H3
• InChIKey: JXEYNVOJWDHONR-UHFFFAOYSA-N
• XLogP: 16.16
• TPSA: 160.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1475.95
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The IUPAC name of 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene (CID 159050496) is 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene.

What is the SMILES notation for 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The canonical SMILES for 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene is CN1Cc2c(n(CCc3ccc(C(F)(F)F)nc3)c3ncccc23)C(C)(C)C1.Cc1cc2c3c(n(CC(C)(O)c4cccnc4)c2cc1C)CCN(C)C3.Cc1ccc2c(c1)c1c(n2CC(CC(=O)C(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(CN)c2ccncc2)CCN(C)C1.

What is the InChIKey of 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

The InChIKey is JXEYNVOJWDHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O.C22H27N3O.C21H23F3N4.C21H26N4/c1-18-6-7-23-21(14-18)22-17-28(5)13-10-24(22)29(23)16-20(15-25(30)26(2,3)4)19-8-11-27-12-9-19;1-15-10-18-19-13-24(4)9-7-20(19)25(21(18)11-16(15)2)14-22(3,26)17-6-5-8-23-12-17;1-20(2)13-27(3)12-16-15-5-4-9-25-19(15)28(18(16)20)10-8-14-6-7-17(26-11-14)21(22,23)24;1-15-3-4-20-18(11-15)19-14-24(2)10-7-21(19)25(20)13-17(12-22)16-5-8-23-9-6-16/h6-9,11-12,14,20H,10,13,15-17H2,1-5H3;5-6,8,10-12,26H,7,9,13-14H2,1-4H3;4-7,9,11H,8,10,12-13H2,1-3H3;3-6,8-9,11,17H,7,10,12-14,22H2,1-2H3.

What are the key properties of 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene?

6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene has a molecular weight of 1475.95 g/mol, XLogP of 16.16, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2,2-dimethyl-5-pyridin-4-ylhexan-3-one;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-1-amine;2-pyridin-3-yl-1-(2,7,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;4,6,6-trimethyl-8-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene is sourced from PubChem (CID 159050496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).