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

C102H103F13N12 — CID 161375303

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

6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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 161375303) has the molecular formula C102H103F13N12 and a molecular weight of 1744.00 g/mol. Its IUPAC name is 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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: 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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: 161375303
• Molecular Formula: C102H103F13N12
• Molecular Weight: 1744.00 g/mol
• Exact Mass: 1742.82
• IUPAC Name: 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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(c3cccc(C(F)(F)F)c3n2CCc2ccccc2)C1.CN1CCc2c(c3cccc(C(F)(F)F)c3n2CCc2cccnc2)C1.CN1CCc2c(c3cccc(F)c3n2CCc2ccccc2)C1
• InChI: InChI=1S/2C21H21F3N2.2C20H20F3N3.C20H21FN2/c1-25-12-11-19-17(14-25)16-8-5-9-18(21(22,23)24)20(16)26(19)13-10-15-6-3-2-4-7-15;1-25-11-10-20-18(14-25)17-13-16(21(22,23)24)7-8-19(17)26(20)12-9-15-5-3-2-4-6-15;1-25-10-8-18-16(13-25)15-5-2-6-17(20(21,22)23)19(15)26(18)11-7-14-4-3-9-24-12-14;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;1-22-12-11-19-17(14-22)16-8-5-9-18(21)20(16)23(19)13-10-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3;2-8,13H,9-12,14H2,1H3;2-6,9,12H,7-8,10-11,13H2,1H3;2-5,8,11-12H,6-7,9-10,13H2,1H3;2-9H,10-14H2,1H3
• InChIKey: VQZPOPUPIYFGHQ-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 66.63 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1744.00
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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 161375303) is 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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(c3cccc(C(F)(F)F)c3n2CCc2ccccc2)C1.CN1CCc2c(c3cccc(C(F)(F)F)c3n2CCc2cccnc2)C1.CN1CCc2c(c3cccc(F)c3n2CCc2ccccc2)C1.

What is the InChIKey of 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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 VQZPOPUPIYFGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21F3N2.2C20H20F3N3.C20H21FN2/c1-25-12-11-19-17(14-25)16-8-5-9-18(21(22,23)24)20(16)26(19)13-10-15-6-3-2-4-7-15;1-25-11-10-20-18(14-25)17-13-16(21(22,23)24)7-8-19(17)26(20)12-9-15-5-3-2-4-6-15;1-25-10-8-18-16(13-25)15-5-2-6-17(20(21,22)23)19(15)26(18)11-7-14-4-3-9-24-12-14;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;1-22-12-11-19-17(14-22)16-8-5-9-18(21)20(16)23(19)13-10-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3;2-8,13H,9-12,14H2,1H3;2-6,9,12H,7-8,10-11,13H2,1H3;2-5,8,11-12H,6-7,9-10,13H2,1H3;2-9H,10-14H2,1H3.

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

6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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 1744.00 g/mol, XLogP of 22.36, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-2-methyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-(2-phenylethyl)-6-(trifluoromethyl)-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)-6-(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 161375303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).