9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C150H134F13N25 — CID 167618542

About 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 167618542) has the molecular formula C150H134F13N25 and a molecular weight of 2533.87 g/mol. Its IUPAC name is 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 167618542
• Molecular Formula: C150H134F13N25
• Molecular Weight: 2533.87 g/mol
• Exact Mass: 2532.10
• IUPAC Name: 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: CN1CCC(c2ccc3c4cnccc4n(C)c3c2)CC1.Cc1cc(-c2ccc3c4c([nH]c3c2)CN(C)CC4)cnc1C.Cc1cc(-c2ccc3c4c(n(C(F)F)c3c2)CN(C)CC4)cnc1C.Cc1cc(-c2ccc3c4cc(F)cnc4n(C(F)F)c3c2)cnc1C.Cc1cc(-c2ccc3c4cnccc4n(C)c3n2)ccn1.Cc1cc2c(cn1)c1ccc(-c3cnc(C)c(C)c3)cc1n2C.Cc1ncc(-c2ccc3c4cncc(F)c4n(C(F)F)c3c2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cc1F
• InChI: InChI=1S/C20H21F2N3.C20H19N3.C19H13F4N3.C19H14F3N3.C19H21N3.C18H11F4N3.C18H21N3.C17H14N4/c1-12-8-15(10-23-13(12)2)14-4-5-16-17-6-7-24(3)11-19(17)25(20(21)22)18(16)9-14;1-12-7-16(10-22-14(12)3)15-5-6-17-18-11-21-13(2)8-19(18)23(4)20(17)9-15;1-11-16(20)6-13(8-25-11)12-2-3-14-15-9-24-5-4-17(15)26(18(14)7-12)10-19(21,22)23;1-10-5-13(8-23-11(10)2)12-3-4-15-16-7-14(20)9-24-18(16)25(19(21)22)17(15)6-12;1-12-8-15(10-20-13(12)2)14-4-5-16-17-6-7-22(3)11-19(17)21-18(16)9-14;1-9-14(19)4-11(6-24-9)10-2-3-12-13-7-23-8-15(20)17(13)25(18(21)22)16(12)5-10;1-20-9-6-13(7-10-20)14-3-4-15-16-12-19-8-5-17(16)21(2)18(15)11-14;1-11-9-12(5-8-19-11)15-4-3-13-14-10-18-7-6-16(14)21(2)17(13)20-15/h4-5,8-10,20H,6-7,11H2,1-3H3;5-11H,1-4H3;2-9H,10H2,1H3;3-9,19H,1-2H3;4-5,8-10,21H,6-7,11H2,1-3H3;2-8,18H,1H3;3-5,8,11-13H,6-7,9-10H2,1-2H3;3-10H,1-2H3
• InChIKey: MCIHRGJIHJCRGA-UHFFFAOYSA-N
• XLogP: 36.18
• TPSA: 240.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.87
LogP ≤ 5	36.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 167618542) is 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CN1CCC(c2ccc3c4cnccc4n(C)c3c2)CC1.Cc1cc(-c2ccc3c4c([nH]c3c2)CN(C)CC4)cnc1C.Cc1cc(-c2ccc3c4c(n(C(F)F)c3c2)CN(C)CC4)cnc1C.Cc1cc(-c2ccc3c4cc(F)cnc4n(C(F)F)c3c2)cnc1C.Cc1cc(-c2ccc3c4cnccc4n(C)c3n2)ccn1.Cc1cc2c(cn1)c1ccc(-c3cnc(C)c(C)c3)cc1n2C.Cc1ncc(-c2ccc3c4cncc(F)c4n(C(F)F)c3c2)cc1F.Cc1ncc(-c2ccc3c4cnccc4n(CC(F)(F)F)c3c2)cc1F.

What is the InChIKey of 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is MCIHRGJIHJCRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3.C20H19N3.C19H13F4N3.C19H14F3N3.C19H21N3.C18H11F4N3.C18H21N3.C17H14N4/c1-12-8-15(10-23-13(12)2)14-4-5-16-17-6-7-24(3)11-19(17)25(20(21)22)18(16)9-14;1-12-7-16(10-22-14(12)3)15-5-6-17-18-11-21-13(2)8-19(18)23(4)20(17)9-15;1-11-16(20)6-13(8-25-11)12-2-3-14-15-9-24-5-4-17(15)26(18(14)7-12)10-19(21,22)23;1-10-5-13(8-23-11(10)2)12-3-4-15-16-7-14(20)9-24-18(16)25(19(21)22)17(15)6-12;1-12-8-15(10-20-13(12)2)14-4-5-16-17-6-7-22(3)11-19(17)21-18(16)9-14;1-9-14(19)4-11(6-24-9)10-2-3-12-13-7-23-8-15(20)17(13)25(18(21)22)16(12)5-10;1-20-9-6-13(7-10-20)14-3-4-15-16-12-19-8-5-17(16)21(2)18(15)11-14;1-11-9-12(5-8-19-11)15-4-3-13-14-10-18-7-6-16(14)21(2)17(13)20-15/h4-5,8-10,20H,6-7,11H2,1-3H3;5-11H,1-4H3;2-9H,10H2,1H3;3-9,19H,1-2H3;4-5,8-10,21H,6-7,11H2,1-3H3;2-8,18H,1H3;3-5,8,11-13H,6-7,9-10H2,1-2H3;3-10H,1-2H3.

What are the key properties of 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 2533.87 g/mol, XLogP of 36.18, 12 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-3-fluoropyrido[2,3-b]indole;9-(difluoromethyl)-7-(5,6-dimethyl-3-pyridinyl)-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole;5-(difluoromethyl)-4-fluoro-7-(5-fluoro-6-methyl-3-pyridinyl)pyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-3,5-dimethylpyrido[4,3-b]indole;7-(5,6-dimethyl-3-pyridinyl)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;7-(5-fluoro-6-methyl-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole;5-methyl-7-(1-methylpiperidin-4-yl)pyrido[4,3-b]indole;8-methyl-11-(2-methyl-4-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 167618542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).