1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine

C15H14N2S — CID 154386319

IUPAC1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine
SMILESCSc1nccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C15H14N2S/c1-18-15-13-8-10-17(14(13)7-9-16-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyYMZVYRGIIIONAK-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.81
Rot. Bonds3

About 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine

1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine (PubChem CID 154386319) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine
PubChem CID154386319
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine
SMILESCSc1nccc2c1ccn2Cc1ccccc1
InChIInChI=1S/C15H14N2S/c1-18-15-13-8-10-17(14(13)7-9-16-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyYMZVYRGIIIONAK-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)sulfanyl-N-butyl-N-methylacetamide
CID 50838714
1-benzyl-2-methylsulfanylpyrrole
CID 15638991
1-benzyl-2-methylimidazole
CID 158634472
1-benzyl-3-fluoropyrrolo[3,2-c]pyridine
CID 176809957
1-benzyl-4-bromo-6-fluoroindole
CID 174577859
1-benzyl-6-fluoro-4-phenylmethoxyindole
CID 141202922
1-benzyl-2-chloroimidazole
CID 11629752
1-[[2-(methylamino)-4-pyridinyl]methyl]quinolin-4-one
CID 62465636
1-benzyl-3-(6-methylsulfanyl-3-pyridinyl)indole
CID 70702189
1-benzyl-4-(2H-tetrazol-5-yl)indole
CID 54055882
[1-(1-benzylpyrrolo[3,2-c]pyridin-4-yl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 50839482
1-[(4-ethylphenyl)methyl]-4-fluoroindole
CID 82792470

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine (CID 154386319) is 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine is CSc1nccc2c1ccn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine?
The InChIKey is YMZVYRGIIIONAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-18-15-13-8-10-17(14(13)7-9-16-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine?
1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine has a molecular weight of 254.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylsulfanylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 154386319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).