2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine

C15H16N4OS — CID 58056806

IUPAC2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
SMILESCCS(=O)c1cnccc1-c1nc2cc(C)cnc2n1C
InChIInChI=1S/C15H16N4OS/c1-4-21(20)13-9-16-6-5-11(13)14-18-12-7-10(2)8-17-15(12)19(14)3/h5-9H,4H2,1-3H3
InChIKeyVZDHZZDKMLPMOT-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine

2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine (PubChem CID 58056806) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
PubChem CID58056806
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
SMILESCCS(=O)c1cnccc1-c1nc2cc(C)cnc2n1C
InChIInChI=1S/C15H16N4OS/c1-4-21(20)13-9-16-6-5-11(13)14-18-12-7-10(2)8-17-15(12)19(14)3/h5-9H,4H2,1-3H3
InChIKeyVZDHZZDKMLPMOT-UHFFFAOYSA-N
XLogP2.47
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine (CID 58056806) is 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine is CCS(=O)c1cnccc1-c1nc2cc(C)cnc2n1C.
What is the InChIKey of 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine?
The InChIKey is VZDHZZDKMLPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-4-21(20)13-9-16-6-5-11(13)14-18-12-7-10(2)8-17-15(12)19(14)3/h5-9H,4H2,1-3H3.
What are the key properties of 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine?
2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine has a molecular weight of 300.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 58056806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).