2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol

C20H23N3O — CID 71275252

IUPAC2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
SMILESCc1ccc2c3c(n(CC(O)c4cccnc4)c2c1)CCN(C)C3
InChIInChI=1S/C20H23N3O/c1-14-5-6-16-17-12-22(2)9-7-18(17)23(19(16)10-14)13-20(24)15-4-3-8-21-11-15/h3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3
InChIKeyVSRJGKBVGYOKKO-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.07
Rot. Bonds3

About 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol

2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol (PubChem CID 71275252) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
PubChem CID71275252
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol
SMILESCc1ccc2c3c(n(CC(O)c4cccnc4)c2c1)CCN(C)C3
InChIInChI=1S/C20H23N3O/c1-14-5-6-16-17-12-22(2)9-7-18(17)23(19(16)10-14)13-20(24)15-4-3-8-21-11-15/h3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3
InChIKeyVSRJGKBVGYOKKO-UHFFFAOYSA-N
XLogP3.07
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol (CID 71275252) is 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol is Cc1ccc2c3c(n(CC(O)c4cccnc4)c2c1)CCN(C)C3.
What is the InChIKey of 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
The InChIKey is VSRJGKBVGYOKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-5-6-16-17-12-22(2)9-7-18(17)23(19(16)10-14)13-20(24)15-4-3-8-21-11-15/h3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3.
What are the key properties of 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol?
2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol has a molecular weight of 321.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 71275252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).