2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium

C15H26N5O4S+ — CID 69193428

IUPAC2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium
SMILESCc1nc(N)c2nc(C)n(CCOCC[N+](C)(C)S(=O)(=O)O)c2c1C
InChIInChI=1S/C15H25N5O4S/c1-10-11(2)17-15(16)13-14(10)19(12(3)18-13)6-8-24-9-7-20(4,5)25(21,22)23/h6-9H2,1-5H3,(H2-,16,17,21,22,23)/p+1
InChIKeyJVFXKKBAUFSXED-UHFFFAOYSA-O
MW372.47 g/mol
LogP0.83
Rot. Bonds7

About 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium

2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium (PubChem CID 69193428) has the molecular formula C15H26N5O4S+ and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium.

Molecular Properties

Compound Name2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium
PubChem CID69193428
Molecular FormulaC15H26N5O4S+
Molecular Weight372.47 g/mol
Exact Mass372.17
IUPAC Name2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium
SMILESCc1nc(N)c2nc(C)n(CCOCC[N+](C)(C)S(=O)(=O)O)c2c1C
InChIInChI=1S/C15H25N5O4S/c1-10-11(2)17-15(16)13-14(10)19(12(3)18-13)6-8-24-9-7-20(4,5)25(21,22)23/h6-9H2,1-5H3,(H2-,16,17,21,22,23)/p+1
InChIKeyJVFXKKBAUFSXED-UHFFFAOYSA-O
XLogP0.83
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium?
The IUPAC name of 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium (CID 69193428) is 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium.
What is the SMILES notation for 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium?
The canonical SMILES for 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium is Cc1nc(N)c2nc(C)n(CCOCC[N+](C)(C)S(=O)(=O)O)c2c1C.
What is the InChIKey of 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium?
The InChIKey is JVFXKKBAUFSXED-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H25N5O4S/c1-10-11(2)17-15(16)13-14(10)19(12(3)18-13)6-8-24-9-7-20(4,5)25(21,22)23/h6-9H2,1-5H3,(H2-,16,17,21,22,23)/p+1.
What are the key properties of 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium?
2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium has a molecular weight of 372.47 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethoxy]ethyl-dimethyl-sulfoazanium is sourced from PubChem (CID 69193428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).