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

C₇₉H₈₁F₈N₁₁ — CID 158768204

About 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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 158768204) has the molecular formula C₇₉H₈₁F₈N₁₁ and a molecular weight of 1336.58 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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: 158768204
• Molecular Formula: C₇₉H₈₁F₈N₁₁
• Molecular Weight: 1336.58 g/mol
• Exact Mass: 1335.65
• IUPAC Name: 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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(c3cc(F)ccc3n2CCc2cccnc2)C1
• InChI: InChI=1S/C21H21F3N2.C20H20F3N3.2C19H20FN3/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;1-22-9-7-19-17(13-22)16-11-15(20)4-5-18(16)23(19)10-6-14-3-2-8-21-12-14;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;2-5,8,11-12H,6-7,9-10,13H2,1H3;2-6,9,12H,7-8,10-11,13H2,1H3
• InChIKey: IPNJUSQNABFJQQ-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 71.35 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1336.58
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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 158768204) is 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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(c3cc(F)ccc3n2CCc2cccnc2)C1.

What is the InChIKey of 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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 IPNJUSQNABFJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2.C20H20F3N3.2C19H20FN3/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;1-22-9-7-19-17(13-22)16-11-15(20)4-5-18(16)23(19)10-6-14-3-2-8-21-12-14;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;2-5,8,11-12H,6-7,9-10,13H2,1H3;2-6,9,12H,7-8,10-11,13H2,1H3.

What are the key properties of 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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 1336.58 g/mol, XLogP of 15.99, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-methyl-5-(2-pyridin-3-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 158768204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158768204 — identifiers, structure, computed properties (public domain)

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