1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile

C82H89FN16O5 — CID 159946291

About 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile

1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile (PubChem CID 159946291) has the molecular formula C82H89FN16O5 and a molecular weight of 1397.72 g/mol. Its IUPAC name is 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile.

Molecular Properties

• Compound Name: 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile
• PubChem CID: 159946291
• Molecular Formula: C82H89FN16O5
• Molecular Weight: 1397.72 g/mol
• Exact Mass: 1396.72
• IUPAC Name: 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile
• SMILES: Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)cc2)CCCC1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN(C)C1
• InChI: InChI=1S/C21H24FN3O.C21H21N3O.C20H23N5O2.C20H21N5O/c1-14-4-6-18-16(10-14)17-12-24(3)9-8-19(17)25(18)13-21(2,26)15-5-7-20(22)23-11-15;1-14-10-18-17-4-2-3-5-19(17)24(21(18)23-12-14)13-20(25)16-8-6-15(11-22)7-9-16;1-12-7-14-15-10-24(2)6-5-17(15)25(20(14)23-8-12)11-18(26)13-3-4-16(19(21)27)22-9-13;1-13-7-16-17-11-24(2)6-5-18(17)25(20(16)23-9-13)12-19(26)14-3-4-15(8-21)22-10-14/h4-7,10-11,26H,8-9,12-13H2,1-3H3;6-10,12,20,25H,2-5,13H2,1H3;3-4,7-9,18,26H,5-6,10-11H2,1-2H3,(H2,21,27);3-4,7,9-10,19,26H,5-6,11-12H2,1-2H3
• InChIKey: OBNLVMHRUFALSK-UHFFFAOYSA-N
• XLogP: 11.10
• TPSA: 278.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1397.72
LogP ≤ 5	11.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile?

The IUPAC name of 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile (CID 159946291) is 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile.

What is the SMILES notation for 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile?

The canonical SMILES for 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)cc2)CCCC1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C#N)nc2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)nc2)CCN(C)C1.

What is the InChIKey of 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile?

The InChIKey is OBNLVMHRUFALSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O.C21H21N3O.C20H23N5O2.C20H21N5O/c1-14-4-6-18-16(10-14)17-12-24(3)9-8-19(17)25(18)13-21(2,26)15-5-7-20(22)23-11-15;1-14-10-18-17-4-2-3-5-19(17)24(21(18)23-12-14)13-20(25)16-8-6-15(11-22)7-9-16;1-12-7-14-15-10-24(2)6-5-17(15)25(20(14)23-8-12)11-18(26)13-3-4-16(19(21)27)22-9-13;1-13-7-16-17-11-24(2)6-5-18(17)25(20(16)23-9-13)12-19(26)14-3-4-15(8-21)22-10-14/h4-7,10-11,26H,8-9,12-13H2,1-3H3;6-10,12,20,25H,2-5,13H2,1H3;3-4,7-9,18,26H,5-6,10-11H2,1-2H3,(H2,21,27);3-4,7,9-10,19,26H,5-6,11-12H2,1-2H3.

What are the key properties of 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile?

1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile has a molecular weight of 1397.72 g/mol, XLogP of 11.10, 13 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-fluoro-3-pyridinyl)propan-2-ol;5-[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]pyridine-2-carbonitrile;5-[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]pyridine-2-carboxamide;4-[1-hydroxy-2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]benzonitrile is sourced from PubChem (CID 159946291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).