6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine

C15H23N3S — CID 141082432

IUPAC6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine
SMILESCCCc1nc2cnc(C)c(C)c2n1CCCSC
InChIInChI=1S/C15H23N3S/c1-5-7-14-17-13-10-16-12(3)11(2)15(13)18(14)8-6-9-19-4/h10H,5-9H2,1-4H3
InChIKeyWOVRZNLJHASVDZ-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.75
Rot. Bonds6

About 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine

6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine (PubChem CID 141082432) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine
PubChem CID141082432
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine
SMILESCCCc1nc2cnc(C)c(C)c2n1CCCSC
InChIInChI=1S/C15H23N3S/c1-5-7-14-17-13-10-16-12(3)11(2)15(13)18(14)8-6-9-19-4/h10H,5-9H2,1-4H3
InChIKeyWOVRZNLJHASVDZ-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine?
The IUPAC name of 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine (CID 141082432) is 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine?
The canonical SMILES for 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine is CCCc1nc2cnc(C)c(C)c2n1CCCSC.
What is the InChIKey of 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine?
The InChIKey is WOVRZNLJHASVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-7-14-17-13-10-16-12(3)11(2)15(13)18(14)8-6-9-19-4/h10H,5-9H2,1-4H3.
What are the key properties of 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine?
6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine has a molecular weight of 277.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(3-methylsulfanylpropyl)-2-propylimidazo[4,5-c]pyridine is sourced from PubChem (CID 141082432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).