(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone

C128H109F7N10O10 — CID 161140105

About (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone

(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 161140105) has the molecular formula C128H109F7N10O10 and a molecular weight of 2080.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
• PubChem CID: 161140105
• Molecular Formula: C128H109F7N10O10
• Molecular Weight: 2080.33 g/mol
• Exact Mass: 2078.82
• IUPAC Name: (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
• SMILES: COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C(F)(F)F)c2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)cc1
• InChI: InChI=1S/2C26H21F3N2O2.C26H24N2O2.C25H21FN2O2.C25H22N2O2/c1-33-19-11-9-16(10-12-19)24-23-21(20-7-2-3-8-22(20)30-23)13-14-31(24)25(32)17-5-4-6-18(15-17)26(27,28)29;1-33-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)30-23)14-15-31(24)25(32)17-6-10-18(11-7-17)26(27,28)29;1-17-6-5-7-19(16-17)26(29)28-15-14-22-21-8-3-4-9-23(21)27-24(22)25(28)18-10-12-20(30-2)13-11-18;1-30-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)27-23)14-15-28(24)25(29)17-6-10-18(26)11-7-17;1-29-19-13-11-17(12-14-19)24-23-21(20-9-5-6-10-22(20)26-23)15-16-27(24)25(28)18-7-3-2-4-8-18/h2-12,15,24,30H,13-14H2,1H3;2-13,24,30H,14-15H2,1H3;3-13,16,25,27H,14-15H2,1-2H3;2-13,24,27H,14-15H2,1H3;2-14,24,26H,15-16H2,1H3
• InChIKey: UNIDYHQQISSUGZ-UHFFFAOYSA-N
• XLogP: 27.31
• TPSA: 226.65 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2080.33
LogP ≤ 5	27.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone?

The IUPAC name of (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 161140105) is (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone.

What is the SMILES notation for (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone?

The canonical SMILES for (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone is COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C(F)(F)F)c2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cccc(C)c2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)cc1.

What is the InChIKey of (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone?

The InChIKey is UNIDYHQQISSUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21F3N2O2.C26H24N2O2.C25H21FN2O2.C25H22N2O2/c1-33-19-11-9-16(10-12-19)24-23-21(20-7-2-3-8-22(20)30-23)13-14-31(24)25(32)17-5-4-6-18(15-17)26(27,28)29;1-33-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)30-23)14-15-31(24)25(32)17-6-10-18(11-7-17)26(27,28)29;1-17-6-5-7-19(16-17)26(29)28-15-14-22-21-8-3-4-9-23(21)27-24(22)25(28)18-10-12-20(30-2)13-11-18;1-30-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)27-23)14-15-28(24)25(29)17-6-10-18(26)11-7-17;1-29-19-13-11-17(12-14-19)24-23-21(20-9-5-6-10-22(20)26-23)15-16-27(24)25(28)18-7-3-2-4-8-18/h2-12,15,24,30H,13-14H2,1H3;2-13,24,30H,14-15H2,1H3;3-13,16,25,27H,14-15H2,1-2H3;2-13,24,27H,14-15H2,1H3;2-14,24,26H,15-16H2,1H3.

What are the key properties of (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone?

(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 2080.33 g/mol, XLogP of 27.31, 15 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 161140105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).