4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C88H85F4N9O — CID 159521627

About 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 159521627) has the molecular formula C88H85F4N9O and a molecular weight of 1360.70 g/mol. Its IUPAC name is 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 159521627
• Molecular Formula: C88H85F4N9O
• Molecular Weight: 1360.70 g/mol
• Exact Mass: 1359.68
• IUPAC Name: 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: COc1ccc(C#Cn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1.Cc1ccc2c(c1)c1c(n2C#Cc2ccc(N(C)C)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C#Cc2ccccc2C(F)(F)F)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C#Cc2ccccc2F)CCN(C)C1
• InChI: InChI=1S/C23H25N3.C22H19F3N2.C22H22N2O.C21H19FN2/c1-17-5-10-22-20(15-17)21-16-25(4)13-12-23(21)26(22)14-11-18-6-8-19(9-7-18)24(2)3;1-15-7-8-20-17(13-15)18-14-26(2)11-10-21(18)27(20)12-9-16-5-3-4-6-19(16)22(23,24)25;1-16-4-9-21-19(14-16)20-15-23(2)12-11-22(20)24(21)13-10-17-5-7-18(25-3)8-6-17;1-15-7-8-20-17(13-15)18-14-23(2)11-10-21(18)24(20)12-9-16-5-3-4-6-19(16)22/h5-10,15H,12-13,16H2,1-4H3;3-8,13H,10-11,14H2,1-2H3;4-9,14H,11-12,15H2,1-3H3;3-8,13H,10-11,14H2,1-2H3
• InChIKey: MBWJTIKQIJUZSD-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 45.15 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1360.70
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 159521627) is 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc(C#Cn2c3c(c4cc(C)ccc42)CN(C)CC3)cc1.Cc1ccc2c(c1)c1c(n2C#Cc2ccc(N(C)C)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C#Cc2ccccc2C(F)(F)F)CCN(C)C1.Cc1ccc2c(c1)c1c(n2C#Cc2ccccc2F)CCN(C)C1.

What is the InChIKey of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is MBWJTIKQIJUZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3.C22H19F3N2.C22H22N2O.C21H19FN2/c1-17-5-10-22-20(15-17)21-16-25(4)13-12-23(21)26(22)14-11-18-6-8-19(9-7-18)24(2)3;1-15-7-8-20-17(13-15)18-14-26(2)11-10-21(18)27(20)12-9-16-5-3-4-6-19(16)22(23,24)25;1-16-4-9-21-19(14-16)20-15-23(2)12-11-22(20)24(21)13-10-17-5-7-18(25-3)8-6-17;1-15-7-8-20-17(13-15)18-14-23(2)11-10-21(18)24(20)12-9-16-5-3-4-6-19(16)22/h5-10,15H,12-13,16H2,1-4H3;3-8,13H,10-11,14H2,1-2H3;4-9,14H,11-12,15H2,1-3H3;3-8,13H,10-11,14H2,1-2H3.

What are the key properties of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1360.70 g/mol, XLogP of 16.41, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethynyl]-N,N-dimethylaniline;2,8-dimethyl-5-[2-[2-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2-fluorophenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(4-methoxyphenyl)ethynyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 159521627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).