4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile

C83H92N14O6 — CID 158757177

About 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile (PubChem CID 158757177) has the molecular formula C83H92N14O6 and a molecular weight of 1381.74 g/mol. Its IUPAC name is 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile
• PubChem CID: 158757177
• Molecular Formula: C83H92N14O6
• Molecular Weight: 1381.74 g/mol
• Exact Mass: 1380.73
• IUPAC Name: 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile
• SMILES: Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ncco2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C#N)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)cc2)CCN(C)C1
• InChI: InChI=1S/C22H23N3O.C21H24N4O2.C21H22N4O.C19H23N3O2/c1-15-3-8-20-18(11-15)19-13-24(2)10-9-21(19)25(20)14-22(26)17-6-4-16(12-23)5-7-17;1-13-3-6-18-15(9-13)16-11-24(2)8-7-19(16)25(18)12-20(26)14-4-5-17(21(22)27)23-10-14;1-14-9-17-18-12-24(2)8-7-19(18)25(21(17)23-11-14)13-20(26)16-5-3-15(10-22)4-6-16;1-13-4-5-16-14(10-13)15-11-21(3)8-6-17(15)22(16)12-19(2,23)18-20-7-9-24-18/h3-8,11,22,26H,9-10,13-14H2,1-2H3;3-6,9-10,20,26H,7-8,11-12H2,1-2H3,(H2,22,27);3-6,9,11,20,26H,7-8,12-13H2,1-2H3;4-5,7,9-10,23H,6,8,11-12H2,1-3H3
• InChIKey: IOFGICKPBOMRKJ-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 256.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1381.74
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	5
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 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile?

The IUPAC name of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile (CID 158757177) is 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile.

What is the SMILES notation for 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile?

The canonical SMILES for 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ncco2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C#N)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)cc2)CCN(C)C1.

What is the InChIKey of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile?

The InChIKey is IOFGICKPBOMRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O.C21H24N4O2.C21H22N4O.C19H23N3O2/c1-15-3-8-20-18(11-15)19-13-24(2)10-9-21(19)25(20)14-22(26)17-6-4-16(12-23)5-7-17;1-13-3-6-18-15(9-13)16-11-24(2)8-7-19(16)25(18)12-20(26)14-4-5-17(21(22)27)23-10-14;1-14-9-17-18-12-24(2)8-7-19(18)25(21(17)23-11-14)13-20(26)16-5-3-15(10-22)4-6-16;1-13-4-5-16-14(10-13)15-11-21(3)8-6-17(15)22(16)12-19(2,23)18-20-7-9-24-18/h3-8,11,22,26H,9-10,13-14H2,1-2H3;3-6,9-10,20,26H,7-8,11-12H2,1-2H3,(H2,22,27);3-6,9,11,20,26H,7-8,12-13H2,1-2H3;4-5,7,9-10,23H,6,8,11-12H2,1-3H3.

What are the key properties of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile?

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile has a molecular weight of 1381.74 g/mol, XLogP of 11.48, 13 rotatable bonds, 5 hydrogen bond donors, and 19 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)-1-hydroxyethyl]benzonitrile;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carboxamide;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,3-oxazol-2-yl)propan-2-ol;4-[2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 158757177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).