2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C83H103N11O3 — CID 157195681

About 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 157195681) has the molecular formula C83H103N11O3 and a molecular weight of 1302.81 g/mol. Its IUPAC name is 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 157195681
• Molecular Formula: C83H103N11O3
• Molecular Weight: 1302.81 g/mol
• Exact Mass: 1301.82
• IUPAC Name: 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: Cc1cc(CC(O)c2ccncc2)c2[nH]c3c(c2c1)CN(C)CC3.Cc1cc(CC(O)c2ccncc2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1cc(CCN2CCCC2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1ccc(C(O)Cc2cc(C)cc3c4c([nH]c23)CCN(C)C4)cc1
• InChI: InChI=1S/C22H26N2O.C21H25N3O.C20H23N3O.C20H29N3/c1-14-4-6-16(7-5-14)21(25)12-17-10-15(2)11-18-19-13-24(3)9-8-20(19)23-22(17)18;1-14-10-16(12-20(25)15-4-7-22-8-5-15)21-17(11-14)18-13-23(2)9-6-19(18)24(21)3;1-13-9-15(11-19(24)14-3-6-21-7-4-14)20-16(10-13)17-12-23(2)8-5-18(17)22-20;1-15-12-16(6-11-23-8-4-5-9-23)20-17(13-15)18-14-21(2)10-7-19(18)22(20)3/h4-7,10-11,21,23,25H,8-9,12-13H2,1-3H3;4-5,7-8,10-11,20,25H,6,9,12-13H2,1-3H3;3-4,6-7,9-10,19,22,24H,5,8,11-12H2,1-2H3;12-13H,4-11,14H2,1-3H3
• InChIKey: AQFLFYNLUUNUIW-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 144.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1302.81
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	5
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 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 157195681) is 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1cc(CC(O)c2ccncc2)c2[nH]c3c(c2c1)CN(C)CC3.Cc1cc(CC(O)c2ccncc2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1cc(CCN2CCCC2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1ccc(C(O)Cc2cc(C)cc3c4c([nH]c23)CCN(C)C4)cc1.

What is the InChIKey of 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is AQFLFYNLUUNUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.C21H25N3O.C20H23N3O.C20H29N3/c1-14-4-6-16(7-5-14)21(25)12-17-10-15(2)11-18-19-13-24(3)9-8-20(19)23-22(17)18;1-14-10-16(12-20(25)15-4-7-22-8-5-15)21-17(11-14)18-13-23(2)9-6-19(18)24(21)3;1-13-9-15(11-19(24)14-3-6-21-7-4-14)20-16(10-13)17-12-23(2)8-5-18(17)22-20;1-15-12-16(6-11-23-8-4-5-9-23)20-17(13-15)18-14-21(2)10-7-19(18)22(20)3/h4-7,10-11,21,23,25H,8-9,12-13H2,1-3H3;4-5,7-8,10-11,20,25H,6,9,12-13H2,1-3H3;3-4,6-7,9-10,19,22,24H,5,8,11-12H2,1-2H3;12-13H,4-11,14H2,1-3H3.

What are the key properties of 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1302.81 g/mol, XLogP of 13.44, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-(4-methylphenyl)ethanol;2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2,5,8-trimethyl-6-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157195681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).