1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine

C23H21ClN2 — CID 67141038

IUPAC1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
SMILESCc1ccc(-c2nccc3c(C)c(C)n(Cc4ccccc4Cl)c23)cc1
InChIInChI=1S/C23H21ClN2/c1-15-8-10-18(11-9-15)22-23-20(12-13-25-22)16(2)17(3)26(23)14-19-6-4-5-7-21(19)24/h4-13H,14H2,1-3H3
InChIKeyJDUCOPBLERIJRH-UHFFFAOYSA-N
MW360.89 g/mol
LogP6.33
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine

1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 67141038) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
PubChem CID67141038
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
SMILESCc1ccc(-c2nccc3c(C)c(C)n(Cc4ccccc4Cl)c23)cc1
InChIInChI=1S/C23H21ClN2/c1-15-8-10-18(11-9-15)22-23-20(12-13-25-22)16(2)17(3)26(23)14-19-6-4-5-7-21(19)24/h4-13H,14H2,1-3H3
InChIKeyJDUCOPBLERIJRH-UHFFFAOYSA-N
XLogP6.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (CID 67141038) is 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is Cc1ccc(-c2nccc3c(C)c(C)n(Cc4ccccc4Cl)c23)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is JDUCOPBLERIJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-15-8-10-18(11-9-15)22-23-20(12-13-25-22)16(2)17(3)26(23)14-19-6-4-5-7-21(19)24/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 360.89 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).