2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole

C106H124N16O4S — CID 159140400

About 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-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-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 159140400) has the molecular formula C106H124N16O4S and a molecular weight of 1718.33 g/mol. Its IUPAC name is 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-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-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 159140400
• Molecular Formula: C106H124N16O4S
• Molecular Weight: 1718.33 g/mol
• Exact Mass: 1716.97
• IUPAC Name: 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: Cc1cc(-c2cscc2-c2ccnn2C)c2c(c1)c1c(n2C)CCN(C)C1.Cc1cc(CC(C)(O)c2cccnc2)c2[nH]c3c(c2c1)CN(C)CC3.Cc1cc(CC(C)(O)c2cccnc2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1cc(CC(O)c2ccncc2)c2[nH]c3c(c2c1)CN(C)CC3.Cc1cc(CC(O)c2ccncc2)c2c(c1)c1c(n2C)CCN(C)C1
• InChI: InChI=1S/C22H24N4S.C22H27N3O.2C21H25N3O.C20H23N3O/c1-14-9-15-17-11-24(2)8-6-20(17)25(3)22(15)16(10-14)18-12-27-13-19(18)21-5-7-23-26(21)4;1-15-10-16(12-22(2,26)17-6-5-8-23-13-17)21-18(11-15)19-14-24(3)9-7-20(19)25(21)4;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;1-14-9-15(11-21(2,25)16-5-4-7-22-12-16)20-17(10-14)18-13-24(3)8-6-19(18)23-20;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/h5,7,9-10,12-13H,6,8,11H2,1-4H3;5-6,8,10-11,13,26H,7,9,12,14H2,1-4H3;4-5,7-8,10-11,20,25H,6,9,12-13H2,1-3H3;4-5,7,9-10,12,23,25H,6,8,11,13H2,1-3H3;3-4,6-7,9-10,19,22,24H,5,8,11-12H2,1-2H3
• InChIKey: KIAFISHFAFLFMF-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 212.87 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1718.33
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

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-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-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-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 159140400) is 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-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-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-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-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole is Cc1cc(-c2cscc2-c2ccnn2C)c2c(c1)c1c(n2C)CCN(C)C1.Cc1cc(CC(C)(O)c2cccnc2)c2[nH]c3c(c2c1)CN(C)CC3.Cc1cc(CC(C)(O)c2cccnc2)c2c(c1)c1c(n2C)CCN(C)C1.Cc1cc(CC(O)c2ccncc2)c2[nH]c3c(c2c1)CN(C)CC3.Cc1cc(CC(O)c2ccncc2)c2c(c1)c1c(n2C)CCN(C)C1.

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

The InChIKey is KIAFISHFAFLFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S.C22H27N3O.2C21H25N3O.C20H23N3O/c1-14-9-15-17-11-24(2)8-6-20(17)25(3)22(15)16(10-14)18-12-27-13-19(18)21-5-7-23-26(21)4;1-15-10-16(12-22(2,26)17-6-5-8-23-13-17)21-18(11-15)19-14-24(3)9-7-20(19)25(21)4;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;1-14-9-15(11-21(2,25)16-5-4-7-22-12-16)20-17(10-14)18-13-24(3)8-6-19(18)23-20;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/h5,7,9-10,12-13H,6,8,11H2,1-4H3;5-6,8,10-11,13,26H,7,9,12,14H2,1-4H3;4-5,7-8,10-11,20,25H,6,9,12-13H2,1-3H3;4-5,7,9-10,12,23,25H,6,8,11,13H2,1-3H3;3-4,6-7,9-10,19,22,24H,5,8,11-12H2,1-2H3.

What are the key properties of 2-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-1-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-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-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1718.33 g/mol, XLogP of 17.51, 14 rotatable bonds, 6 hydrogen bond donors, and 19 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-pyridin-4-ylethanol;1-(2,8-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-6-yl)-2-pyridin-3-ylpropan-2-ol;1-pyridin-4-yl-2-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)ethanol;2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-6-yl)propan-2-ol;2,5,8-trimethyl-6-[4-(2-methylpyrazol-3-yl)thiophen-3-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 159140400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).