1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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

C84H94ClF2N11O5 — CID 158301181

About 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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 (PubChem CID 158301181) has the molecular formula C84H94ClF2N11O5 and a molecular weight of 1411.20 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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.

Molecular Properties

• Compound Name: 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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
• PubChem CID: 158301181
• Molecular Formula: C84H94ClF2N11O5
• Molecular Weight: 1411.20 g/mol
• Exact Mass: 1409.71
• IUPAC Name: 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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
• SMILES: Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2Cl)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(F)cc2)CCN(C)C1
• InChI: InChI=1S/C22H25FN2O.C22H25N3O2.C20H22ClN3O.C20H22FN3O/c1-15-4-9-20-18(12-15)19-13-24(3)11-10-21(19)25(20)14-22(2,26)16-5-7-17(23)8-6-16;1-14-3-8-19-17(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;1-13-3-4-18-15(9-13)16-11-23(2)8-6-19(16)24(18)12-20(25)14-5-7-22-10-17(14)21;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/h4-9,12,26H,10-11,13-14H2,1-3H3;3-8,11,21,26H,9-10,12-13H2,1-2H3,(H2,23,27);3-5,7,9-10,20,25H,6,8,11-12H2,1-2H3;3-6,9-10,19,25H,7-8,11-12H2,1-2H3
• InChIKey: GMMZSVKGEHBLHL-UHFFFAOYSA-N
• XLogP: 13.68
• TPSA: 182.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.20
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

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-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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?

The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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 (CID 158301181) is 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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.

What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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?

The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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 is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(N)=O)cc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2Cl)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccc(F)cc2)CCN(C)C1.

What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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?

The InChIKey is GMMZSVKGEHBLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O.C22H25N3O2.C20H22ClN3O.C20H22FN3O/c1-15-4-9-20-18(12-15)19-13-24(3)11-10-21(19)25(20)14-22(2,26)16-5-7-17(23)8-6-16;1-14-3-8-19-17(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;1-13-3-4-18-15(9-13)16-11-23(2)8-6-19(16)24(18)12-20(25)14-5-7-22-10-17(14)21;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/h4-9,12,26H,10-11,13-14H2,1-3H3;3-8,11,21,26H,9-10,12-13H2,1-2H3,(H2,23,27);3-5,7,9-10,20,25H,6,8,11-12H2,1-2H3;3-6,9-10,19,25H,7-8,11-12H2,1-2H3.

What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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 has a molecular weight of 1411.20 g/mol, XLogP of 13.68, 13 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;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 is sourced from PubChem (CID 158301181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).