1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol

C84H98Cl2N12O6 — CID 157413133

About 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol

1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol (PubChem CID 157413133) has the molecular formula C84H98Cl2N12O6 and a molecular weight of 1442.69 g/mol. Its IUPAC name is 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol.

Molecular Properties

• Compound Name: 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol
• PubChem CID: 157413133
• Molecular Formula: C84H98Cl2N12O6
• Molecular Weight: 1442.69 g/mol
• Exact Mass: 1440.71
• IUPAC Name: 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol
• SMILES: CC1Cc2c(c3cc(Cl)ccc3n2CC(C)(O)c2cccnc2)CN1C.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(O)CN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cnccc2Cl)CCN(C)C1.Cc1ccc2c(c1CO)c1c(n2CC(O)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/2C21H24ClN3O.2C21H25N3O2/c1-14-4-5-19-15(10-14)16-12-24(3)9-7-20(16)25(19)13-21(2,26)17-11-23-8-6-18(17)22;1-14-9-20-18(12-24(14)3)17-10-16(22)6-7-19(17)25(20)13-21(2,26)15-5-4-8-23-11-15;1-14-6-7-18-16(9-14)17-11-23(3)12-19(25)20(17)24(18)13-21(2,26)15-5-4-8-22-10-15;1-14-3-4-19-21(17(14)13-25)16-11-23(2)10-7-18(16)24(19)12-20(26)15-5-8-22-9-6-15/h4-6,8,10-11,26H,7,9,12-13H2,1-3H3;4-8,10-11,14,26H,9,12-13H2,1-3H3;4-10,19,25-26H,11-13H2,1-3H3;3-6,8-9,20,25-26H,7,10-13H2,1-2H3
• InChIKey: BONHEHQJAAGFDC-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 205.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1442.69
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	6
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-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol?

The IUPAC name of 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol (CID 157413133) is 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol.

What is the SMILES notation for 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol?

The canonical SMILES for 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol is CC1Cc2c(c3cc(Cl)ccc3n2CC(C)(O)c2cccnc2)CN1C.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)C(O)CN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cnccc2Cl)CCN(C)C1.Cc1ccc2c(c1CO)c1c(n2CC(O)c2ccncc2)CCN(C)C1.

What is the InChIKey of 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol?

The InChIKey is BONHEHQJAAGFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24ClN3O.2C21H25N3O2/c1-14-4-5-19-15(10-14)16-12-24(3)9-7-20(16)25(19)13-21(2,26)17-11-23-8-6-18(17)22;1-14-9-20-18(12-24(14)3)17-10-16(22)6-7-19(17)25(20)13-21(2,26)15-5-4-8-23-11-15;1-14-6-7-18-16(9-14)17-11-23(3)12-19(25)20(17)24(18)13-21(2,26)15-5-4-8-22-10-15;1-14-3-4-19-21(17(14)13-25)16-11-23(2)10-7-18(16)24(19)12-20(26)15-5-8-22-9-6-15/h4-6,8,10-11,26H,7,9,12-13H2,1-3H3;4-8,10-11,14,26H,9,12-13H2,1-3H3;4-10,19,25-26H,11-13H2,1-3H3;3-6,8-9,20,25-26H,7,10-13H2,1-2H3.

What are the key properties of 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol?

1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol has a molecular weight of 1442.69 g/mol, XLogP of 13.16, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-chloro-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(4-chloro-3-pyridinyl)-1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propan-2-ol;2-[9-(hydroxymethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;5-(2-hydroxy-2-pyridin-3-ylpropyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol is sourced from PubChem (CID 157413133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).