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

C26H22ClFN2 — CID 67141663

IUPAC7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1c(C)n(Cc2ccc3ccccc3c2)c2c(-c3ccc(F)cc3)nccc12.Cl
InChIInChI=1S/C26H21FN2.ClH/c1-17-18(2)29(16-19-7-8-20-5-3-4-6-22(20)15-19)26-24(17)13-14-28-25(26)21-9-11-23(27)12-10-21;/h3-15H,16H2,1-2H3;1H
InChIKeyISSURIPCEKWIGB-UHFFFAOYSA-N
MW416.93 g/mol
LogP7.08
Rot. Bonds3

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

7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride (PubChem CID 67141663) has the molecular formula C26H22ClFN2 and a molecular weight of 416.93 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride
PubChem CID67141663
Molecular FormulaC26H22ClFN2
Molecular Weight416.93 g/mol
Exact Mass416.15
IUPAC Name7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride
SMILESCc1c(C)n(Cc2ccc3ccccc3c2)c2c(-c3ccc(F)cc3)nccc12.Cl
InChIInChI=1S/C26H21FN2.ClH/c1-17-18(2)29(16-19-7-8-20-5-3-4-6-22(20)15-19)26-24(17)13-14-28-25(26)21-9-11-23(27)12-10-21;/h3-15H,16H2,1-2H3;1H
InChIKeyISSURIPCEKWIGB-UHFFFAOYSA-N
XLogP7.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-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

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The IUPAC name of 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride (CID 67141663) is 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride is Cc1c(C)n(Cc2ccc3ccccc3c2)c2c(-c3ccc(F)cc3)nccc12.Cl.
What is the InChIKey of 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride?
The InChIKey is ISSURIPCEKWIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2.ClH/c1-17-18(2)29(16-19-7-8-20-5-3-4-6-22(20)15-19)26-24(17)13-14-28-25(26)21-9-11-23(27)12-10-21;/h3-15H,16H2,1-2H3;1H.
What are the key properties of 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride?
7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride has a molecular weight of 416.93 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2,3-dimethyl-1-(naphthalen-2-ylmethyl)pyrrolo[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 67141663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).