8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C100H104F9N13 — CID 159228876

About 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 159228876) has the molecular formula C100H104F9N13 and a molecular weight of 1659.00 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 159228876
• Molecular Formula: C100H104F9N13
• Molecular Weight: 1659.00 g/mol
• Exact Mass: 1657.84
• IUPAC Name: 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1.CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2cccnc2)C1.CN1CCc2c(c3cc(F)ccc3n2CCc2ccccn2)C1.CN1CCc2c(c3cccc(F)c3n2CCc2ccccc2)C1.Cc1ccc(CCn2c3c(c4cc(F)ccc42)CN(C)CC3)cn1
• InChI: InChI=1S/C21H21F3N2.C20H20F3N3.C20H22FN3.C20H21FN2.C19H20FN3/c1-25-11-10-20-18(14-25)17-13-16(21(22,23)24)7-8-19(17)26(20)12-9-15-5-3-2-4-6-15;1-25-9-7-19-17(13-25)16-11-15(20(21,22)23)4-5-18(16)26(19)10-6-14-3-2-8-24-12-14;1-14-3-4-15(12-22-14)7-10-24-19-6-5-16(21)11-17(19)18-13-23(2)9-8-20(18)24;1-22-12-11-19-17(14-22)16-8-5-9-18(21)20(16)23(19)13-10-15-6-3-2-4-7-15;1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15/h2-8,13H,9-12,14H2,1H3;2-5,8,11-12H,6-7,9-10,13H2,1H3;3-6,11-12H,7-10,13H2,1-2H3;2-9H,10-14H2,1H3;2-6,9,12H,7-8,10-11,13H2,1H3
• InChIKey: KSQGOQWYHLKVFE-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 79.52 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1659.00
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 159228876) is 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1.CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2cccnc2)C1.CN1CCc2c(c3cc(F)ccc3n2CCc2ccccn2)C1.CN1CCc2c(c3cccc(F)c3n2CCc2ccccc2)C1.Cc1ccc(CCn2c3c(c4cc(F)ccc42)CN(C)CC3)cn1.

What is the InChIKey of 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is KSQGOQWYHLKVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2.C20H20F3N3.C20H22FN3.C20H21FN2.C19H20FN3/c1-25-11-10-20-18(14-25)17-13-16(21(22,23)24)7-8-19(17)26(20)12-9-15-5-3-2-4-6-15;1-25-9-7-19-17(13-25)16-11-15(20(21,22)23)4-5-18(16)26(19)10-6-14-3-2-8-24-12-14;1-14-3-4-15(12-22-14)7-10-24-19-6-5-16(21)11-17(19)18-13-23(2)9-8-20(18)24;1-22-12-11-19-17(14-22)16-8-5-9-18(21)20(16)23(19)13-10-15-6-3-2-4-7-15;1-22-10-8-19-17(13-22)16-12-14(20)5-6-18(16)23(19)11-7-15-4-2-3-9-21-15/h2-8,13H,9-12,14H2,1H3;2-5,8,11-12H,6-7,9-10,13H2,1H3;3-6,11-12H,7-10,13H2,1-2H3;2-9H,10-14H2,1H3;2-6,9,12H,7-8,10-11,13H2,1H3.

What are the key properties of 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1659.00 g/mol, XLogP of 20.31, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 159228876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).