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

C23H20Cl2N2 — CID 67141425

IUPAC1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
SMILESCc1ccc(-c2nccc3c(C)c(C)n(Cc4ccc(Cl)c(Cl)c4)c23)cc1
InChIInChI=1S/C23H20Cl2N2/c1-14-4-7-18(8-5-14)22-23-19(10-11-26-22)15(2)16(3)27(23)13-17-6-9-20(24)21(25)12-17/h4-12H,13H2,1-3H3
InChIKeyGSVNVIYORIFRIS-UHFFFAOYSA-N
MW395.33 g/mol
LogP6.98
Rot. Bonds3

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

1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 67141425) has the molecular formula C23H20Cl2N2 and a molecular weight of 395.33 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
PubChem CID67141425
Molecular FormulaC23H20Cl2N2
Molecular Weight395.33 g/mol
Exact Mass394.10
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine
SMILESCc1ccc(-c2nccc3c(C)c(C)n(Cc4ccc(Cl)c(Cl)c4)c23)cc1
InChIInChI=1S/C23H20Cl2N2/c1-14-4-7-18(8-5-14)22-23-19(10-11-26-22)15(2)16(3)27(23)13-17-6-9-20(24)21(25)12-17/h4-12H,13H2,1-3H3
InChIKeyGSVNVIYORIFRIS-UHFFFAOYSA-N
XLogP6.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.33
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine (CID 67141425) is 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is Cc1ccc(-c2nccc3c(C)c(C)n(Cc4ccc(Cl)c(Cl)c4)c23)cc1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is GSVNVIYORIFRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2/c1-14-4-7-18(8-5-14)22-23-19(10-11-26-22)15(2)16(3)27(23)13-17-6-9-20(24)21(25)12-17/h4-12H,13H2,1-3H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine?
1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 395.33 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).