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

C81H96ClN13O4 — CID 158166645

About 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol

1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol (PubChem CID 158166645) has the molecular formula C81H96ClN13O4 and a molecular weight of 1351.20 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;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol.

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;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
• PubChem CID: 158166645
• Molecular Formula: C81H96ClN13O4
• Molecular Weight: 1351.20 g/mol
• Exact Mass: 1349.74
• IUPAC Name: 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
• SMILES: Cc1ccc2c(c1)c1c(n2C(C)C(O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2Cl)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cnn(C)c2)CCN(C)C1
• InChI: InChI=1S/2C21H25N3O.C20H22ClN3O.C19H24N4O/c1-14-4-5-19-17(12-14)18-13-23(3)11-8-20(18)24(19)15(2)21(25)16-6-9-22-10-7-16;1-14-4-5-19-17(10-14)18-12-23(3)9-7-20(18)24(19)13-21(25)16-6-8-22-11-15(16)2;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;1-13-4-5-17-15(8-13)16-11-21(2)7-6-18(16)23(17)12-19(24)14-9-20-22(3)10-14/h4-7,9-10,12,15,21,25H,8,11,13H2,1-3H3;4-6,8,10-11,21,25H,7,9,12-13H2,1-3H3;3-5,7,9-10,20,25H,6,8,11-12H2,1-2H3;4-5,8-10,19,24H,6-7,11-12H2,1-3H3
• InChIKey: FWXQMFLTZPNZFZ-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 170.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1351.20
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	4
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 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol?

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;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol (CID 158166645) is 1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol.

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

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;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol is Cc1ccc2c(c1)c1c(n2C(C)C(O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2Cl)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cnn(C)c2)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;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol?

The InChIKey is FWXQMFLTZPNZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H25N3O.C20H22ClN3O.C19H24N4O/c1-14-4-5-19-17(12-14)18-13-23(3)11-8-20(18)24(19)15(2)21(25)16-6-9-22-10-7-16;1-14-4-5-19-17(10-14)18-12-23(3)9-7-20(18)24(19)13-21(25)16-6-8-22-11-15(16)2;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;1-13-4-5-17-15(8-13)16-11-21(2)7-6-18(16)23(17)12-19(24)14-9-20-22(3)10-14/h4-7,9-10,12,15,21,25H,8,11,13H2,1-3H3;4-6,8,10-11,21,25H,7,9,12-13H2,1-3H3;3-5,7,9-10,20,25H,6,8,11-12H2,1-2H3;4-5,8-10,19,24H,6-7,11-12H2,1-3H3.

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

1-(3-chloro-4-pyridinyl)-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol has a molecular weight of 1351.20 g/mol, XLogP of 13.13, 12 rotatable bonds, 4 hydrogen bond donors, and 17 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;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(1-methylpyrazol-4-yl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-methyl-4-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 158166645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).