2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one

C83H101Cl2N11O5 — CID 158082464

About 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one

2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one (PubChem CID 158082464) has the molecular formula C83H101Cl2N11O5 and a molecular weight of 1403.70 g/mol. Its IUPAC name is 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one
• PubChem CID: 158082464
• Molecular Formula: C83H101Cl2N11O5
• Molecular Weight: 1403.70 g/mol
• Exact Mass: 1401.74
• IUPAC Name: 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one
• SMILES: CCCN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2cccnc2)C1.CCCN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2ccncc2)C1.Cc1ccc2c(c1)c1c(n2CC(O)C2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(=O)[nH]c2)CCN(C)C1
• InChI: InChI=1S/2C21H24ClN3O.C21H30N2O.C20H23N3O2/c1-2-10-24-11-7-20-18(13-24)17-12-16(22)3-4-19(17)25(20)14-21(26)15-5-8-23-9-6-15;1-2-9-24-10-7-20-18(13-24)17-11-16(22)5-6-19(17)25(20)14-21(26)15-4-3-8-23-12-15;1-15-8-9-19-17(12-15)18-13-22(2)11-10-20(18)23(19)14-21(24)16-6-4-3-5-7-16;1-13-3-5-17-15(9-13)16-11-22(2)8-7-18(16)23(17)12-19(24)14-4-6-20(25)21-10-14/h3-6,8-9,12,21,26H,2,7,10-11,13-14H2,1H3;3-6,8,11-12,21,26H,2,7,9-10,13-14H2,1H3;8-9,12,16,21,24H,3-7,10-11,13-14H2,1-2H3;3-6,9-10,19,24H,7-8,11-12H2,1-2H3,(H,21,25)
• InChIKey: FNCSHOFSBRCZQU-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 172.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1403.70
LogP ≤ 5	14.62
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 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one?

The IUPAC name of 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one (CID 158082464) is 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one.

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

The canonical SMILES for 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one is CCCN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2cccnc2)C1.CCCN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2ccncc2)C1.Cc1ccc2c(c1)c1c(n2CC(O)C2CCCCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(=O)[nH]c2)CCN(C)C1.

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

The InChIKey is FNCSHOFSBRCZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H24ClN3O.C21H30N2O.C20H23N3O2/c1-2-10-24-11-7-20-18(13-24)17-12-16(22)3-4-19(17)25(20)14-21(26)15-5-8-23-9-6-15;1-2-9-24-10-7-20-18(13-24)17-11-16(22)5-6-19(17)25(20)14-21(26)15-4-3-8-23-12-15;1-15-8-9-19-17(12-15)18-13-22(2)11-10-20(18)23(19)14-21(24)16-6-4-3-5-7-16;1-13-3-5-17-15(9-13)16-11-22(2)8-7-18(16)23(17)12-19(24)14-4-6-20(25)21-10-14/h3-6,8-9,12,21,26H,2,7,10-11,13-14H2,1H3;3-6,8,11-12,21,26H,2,7,9-10,13-14H2,1H3;8-9,12,16,21,24H,3-7,10-11,13-14H2,1-2H3;3-6,9-10,19,24H,7-8,11-12H2,1-2H3,(H,21,25).

What are the key properties of 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one?

2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one has a molecular weight of 1403.70 g/mol, XLogP of 14.62, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(8-chloro-2-propyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylethanol;1-cyclohexyl-2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethanol;5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-1H-pyridin-2-one is sourced from PubChem (CID 158082464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).