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

C84H93F2N13O5 — CID 159917537

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

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol (PubChem CID 159917537) has the molecular formula C84H93F2N13O5 and a molecular weight of 1402.75 g/mol. Its IUPAC name is 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol.

Molecular Properties

• Compound Name: 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol
• PubChem CID: 159917537
• Molecular Formula: C84H93F2N13O5
• Molecular Weight: 1402.75 g/mol
• Exact Mass: 1401.74
• IUPAC Name: 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol
• SMILES: Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C#N)nc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)cc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(F)cc2)CCN(C)C1
• InChI: InChI=1S/C22H25N3O2.C21H24FN3O.C21H22N4O.C20H22FN3O/c1-14-3-8-19-17(11-14)18-12-24(2)10-9-20(18)25(19)13-21(26)15-4-6-16(7-5-15)22(23)27;1-14-10-17-18-12-24(3)9-8-19(18)25(20(17)23-11-14)13-21(2,26)15-4-6-16(22)7-5-15;1-14-3-6-19-17(9-14)18-12-24(2)8-7-20(18)25(19)13-21(26)15-4-5-16(10-22)23-11-15;1-13-9-16-17-11-23(2)8-7-18(17)24(20(16)22-10-13)12-19(25)14-3-5-15(21)6-4-14/h3-8,11,21,26H,9-10,12-13H2,1-2H3,(H2,23,27);4-7,10-11,26H,8-9,12-13H2,1-3H3;3-6,9,11,21,26H,7-8,12-13H2,1-2H3;3-6,9-10,19,25H,7-8,11-12H2,1-2H3
• InChIKey: NXYZNPWQDZSAIA-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 219.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1402.75
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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

The IUPAC name of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol (CID 159917537) is 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol.

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

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

The InChIKey is NXYZNPWQDZSAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.C21H24FN3O.C21H22N4O.C20H22FN3O/c1-14-3-8-19-17(11-14)18-12-24(2)10-9-20(18)25(19)13-21(26)15-4-6-16(7-5-15)22(23)27;1-14-10-17-18-12-24(3)9-8-19(18)25(20(17)23-11-14)13-21(2,26)15-4-6-16(22)7-5-15;1-14-3-6-19-17(9-14)18-12-24(2)8-7-20(18)25(19)13-21(26)15-4-5-16(10-22)23-11-15;1-13-9-16-17-11-23(2)8-7-18(17)24(20(16)22-10-13)12-19(25)14-3-5-15(21)6-4-14/h3-8,11,21,26H,9-10,12-13H2,1-2H3,(H2,23,27);4-7,10-11,26H,8-9,12-13H2,1-3H3;3-6,9,11,21,26H,7-8,12-13H2,1-2H3;3-6,9-10,19,25H,7-8,11-12H2,1-2H3.

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

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol has a molecular weight of 1402.75 g/mol, XLogP of 12.29, 13 rotatable bonds, 5 hydrogen bond donors, and 17 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]benzamide;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]pyridine-2-carbonitrile;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-(4-fluorophenyl)ethanol;1-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-2-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 159917537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).