1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol

C83H98ClN13O5 — CID 160886342

About 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol

1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol (PubChem CID 160886342) has the molecular formula C83H98ClN13O5 and a molecular weight of 1393.24 g/mol. Its IUPAC name is 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol.

Molecular Properties

• Compound Name: 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol
• PubChem CID: 160886342
• Molecular Formula: C83H98ClN13O5
• Molecular Weight: 1393.24 g/mol
• Exact Mass: 1391.75
• IUPAC Name: 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol
• SMILES: CC(O)(Cn1c2c(c3cc(Cl)cnc31)CCCC2)c1ccncc1.CCCN1CCc2c(c3cc(C)ccc3n2CC(O)c2cccnc2)C1.CN1CCc2c(c3cc(C(C)(C)O)ccc3n2CC(O)c2ccncc2)C1.CN1Cc2c(n(CC(O)c3ccncc3)c3ncccc23)C(C)(C)C1
• InChI: InChI=1S/C22H27N3O2.C22H27N3O.C20H24N4O.C19H20ClN3O/c1-22(2,27)16-4-5-19-17(12-16)18-13-24(3)11-8-20(18)25(19)14-21(26)15-6-9-23-10-7-15;1-3-10-24-11-8-21-19(14-24)18-12-16(2)6-7-20(18)25(21)15-22(26)17-5-4-9-23-13-17;1-20(2)13-23(3)11-16-15-5-4-8-22-19(15)24(18(16)20)12-17(25)14-6-9-21-10-7-14;1-19(24,13-6-8-21-9-7-13)12-23-17-5-3-2-4-15(17)16-10-14(20)11-22-18(16)23/h4-7,9-10,12,21,26-27H,8,11,13-14H2,1-3H3;4-7,9,12-13,22,26H,3,8,10-11,14-15H2,1-2H3;4-10,17,25H,11-13H2,1-3H3;6-11,24H,2-5,12H2,1H3
• InChIKey: SNRLLCGNXQTNFV-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 207.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.24
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol?

The IUPAC name of 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol (CID 160886342) is 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol.

What is the SMILES notation for 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol?

The canonical SMILES for 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol is CC(O)(Cn1c2c(c3cc(Cl)cnc31)CCCC2)c1ccncc1.CCCN1CCc2c(c3cc(C)ccc3n2CC(O)c2cccnc2)C1.CN1CCc2c(c3cc(C(C)(C)O)ccc3n2CC(O)c2ccncc2)C1.CN1Cc2c(n(CC(O)c3ccncc3)c3ncccc23)C(C)(C)C1.

What is the InChIKey of 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol?

The InChIKey is SNRLLCGNXQTNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2.C22H27N3O.C20H24N4O.C19H20ClN3O/c1-22(2,27)16-4-5-19-17(12-16)18-13-24(3)11-8-20(18)25(19)14-21(26)15-6-9-23-10-7-15;1-3-10-24-11-8-21-19(14-24)18-12-16(2)6-7-20(18)25(21)15-22(26)17-5-4-9-23-13-17;1-20(2)13-23(3)11-16-15-5-4-8-22-19(15)24(18(16)20)12-17(25)14-6-9-21-10-7-14;1-19(24,13-6-8-21-9-7-13)12-23-17-5-3-2-4-15(17)16-10-14(20)11-22-18(16)23/h4-7,9-10,12,21,26-27H,8,11,13-14H2,1-3H3;4-7,9,12-13,22,26H,3,8,10-11,14-15H2,1-2H3;4-10,17,25H,11-13H2,1-3H3;6-11,24H,2-5,12H2,1H3.

What are the key properties of 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol?

1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol has a molecular weight of 1393.24 g/mol, XLogP of 13.59, 15 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;2-[5-(2-hydroxy-2-pyridin-4-ylethyl)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]propan-2-ol;2-(8-methyl-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;1-pyridin-4-yl-2-(4,6,6-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)ethanol is sourced from PubChem (CID 160886342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).