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

C24H24N2S — CID 67141505

IUPAC2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine
SMILESCSc1ccc(-c2nccc3c(C)c(C)n(Cc4ccc(C)cc4)c23)cc1
InChIInChI=1S/C24H24N2S/c1-16-5-7-19(8-6-16)15-26-18(3)17(2)22-13-14-25-23(24(22)26)20-9-11-21(27-4)12-10-20/h5-14H,15H2,1-4H3
InChIKeyGMXGDMBAHPPXHH-UHFFFAOYSA-N
MW372.54 g/mol
LogP6.40
Rot. Bonds4

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

2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine (PubChem CID 67141505) has the molecular formula C24H24N2S and a molecular weight of 372.54 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine
PubChem CID67141505
Molecular FormulaC24H24N2S
Molecular Weight372.54 g/mol
Exact Mass372.17
IUPAC Name2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine
SMILESCSc1ccc(-c2nccc3c(C)c(C)n(Cc4ccc(C)cc4)c23)cc1
InChIInChI=1S/C24H24N2S/c1-16-5-7-19(8-6-16)15-26-18(3)17(2)22-13-14-25-23(24(22)26)20-9-11-21(27-4)12-10-20/h5-14H,15H2,1-4H3
InChIKeyGMXGDMBAHPPXHH-UHFFFAOYSA-N
XLogP6.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.54
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine (CID 67141505) is 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine is CSc1ccc(-c2nccc3c(C)c(C)n(Cc4ccc(C)cc4)c23)cc1.
What is the InChIKey of 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine?
The InChIKey is GMXGDMBAHPPXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2S/c1-16-5-7-19(8-6-16)15-26-18(3)17(2)22-13-14-25-23(24(22)26)20-9-11-21(27-4)12-10-20/h5-14H,15H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine?
2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine has a molecular weight of 372.54 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(4-methylphenyl)methyl]-7-(4-methylsulfanylphenyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).