2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine

C13H19N3O2S — CID 141082406

IUPAC2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine
SMILESCCc1nc2cncc(C)c2n1CCCS(C)(=O)=O
InChIInChI=1S/C13H19N3O2S/c1-4-12-15-11-9-14-8-10(2)13(11)16(12)6-5-7-19(3,17)18/h8-9H,4-7H2,1-3H3
InChIKeyLFIPAHWANLGQIN-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.74
Rot. Bonds5

About 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine

2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine (PubChem CID 141082406) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine
PubChem CID141082406
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine
SMILESCCc1nc2cncc(C)c2n1CCCS(C)(=O)=O
InChIInChI=1S/C13H19N3O2S/c1-4-12-15-11-9-14-8-10(2)13(11)16(12)6-5-7-19(3,17)18/h8-9H,4-7H2,1-3H3
InChIKeyLFIPAHWANLGQIN-UHFFFAOYSA-N
XLogP1.74
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine (CID 141082406) is 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine is CCc1nc2cncc(C)c2n1CCCS(C)(=O)=O.
What is the InChIKey of 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine?
The InChIKey is LFIPAHWANLGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-12-15-11-9-14-8-10(2)13(11)16(12)6-5-7-19(3,17)18/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine?
2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine has a molecular weight of 281.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).