7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride

C18H18Cl2N2O — CID 87285303

IUPAC7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1c(C)n(CC2CO2)c2c(-c3ccc(Cl)cc3)nccc12.Cl
InChIInChI=1S/C18H17ClN2O.ClH/c1-11-12(2)21(9-15-10-22-15)18-16(11)7-8-20-17(18)13-3-5-14(19)6-4-13;/h3-8,15H,9-10H2,1-2H3;1H
InChIKeyAEKVZTFTCLCGLU-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.79
Rot. Bonds3

About 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride

7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 87285303) has the molecular formula C18H18Cl2N2O and a molecular weight of 349.26 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID87285303
Molecular FormulaC18H18Cl2N2O
Molecular Weight349.26 g/mol
Exact Mass348.08
IUPAC Name7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1c(C)n(CC2CO2)c2c(-c3ccc(Cl)cc3)nccc12.Cl
InChIInChI=1S/C18H17ClN2O.ClH/c1-11-12(2)21(9-15-10-22-15)18-16(11)7-8-20-17(18)13-3-5-14(19)6-4-13;/h3-8,15H,9-10H2,1-2H3;1H
InChIKeyAEKVZTFTCLCGLU-UHFFFAOYSA-N
XLogP4.79
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

[6-Benzyl-4-(2,4-dichlorophenyl)-2-methylpyrrolo[3,4-b]pyridin-3-yl]methanamine
CID 15950387
4-chloro-N-({1-[2-(morpholin-4-yl)ethyl]-1H-indol-3-yl}methyl)aniline, 9
CID 44603603
1-(2-Methoxyethyl)-3-pyridin-4-ylpyrrolo[2,3-c]pyridine
CID 137654853
Bauerine A
CID 189885
(R/S)-6-(4-Fluoro-3-methyl-phenyl)-1-(oxiran-2-
CID 124176031
3-[(3-Chloro-4-pyridyl)methyl]-1-propoxy-indole
CID 155925306
3-[(3,5-Dichloro-4-pyridyl)methyl]-1-propoxy-indole
CID 155925426
9-(2-Ethoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
CID 141471073
US9580415, Example 19
CID 86269278
4-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-3-methylpyridine
CID 90421678
4-({5-[1-(4-Chlorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]pyridin-2-yl}methyl)morpholine
CID 90421791
US10377753, Example 5
CID 124175852

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride (CID 87285303) is 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride is Cc1c(C)n(CC2CO2)c2c(-c3ccc(Cl)cc3)nccc12.Cl.
What is the InChIKey of 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is AEKVZTFTCLCGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O.ClH/c1-11-12(2)21(9-15-10-22-15)18-16(11)7-8-20-17(18)13-3-5-14(19)6-4-13;/h3-8,15H,9-10H2,1-2H3;1H.
What are the key properties of 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride?
7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2,3-dimethyl-1-(oxiran-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 87285303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).