2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid

C16H26N4O4S — CID 91476180

IUPAC2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid
SMILESCCOCc1nc2c(N)nc(C)c(CCS(=O)(=O)O)c2n1CC(C)C
InChIInChI=1S/C16H26N4O4S/c1-5-24-9-13-19-14-15(20(13)8-10(2)3)12(6-7-25(21,22)23)11(4)18-16(14)17/h10H,5-9H2,1-4H3,(H2,17,18)(H,21,22,23)
InChIKeyCNNDELHYKWMUKY-UHFFFAOYSA-N
MW370.48 g/mol
LogP1.94
Rot. Bonds8

About 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid

2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid (PubChem CID 91476180) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid.

Molecular Properties

Compound Name2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid
PubChem CID91476180
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid
SMILESCCOCc1nc2c(N)nc(C)c(CCS(=O)(=O)O)c2n1CC(C)C
InChIInChI=1S/C16H26N4O4S/c1-5-24-9-13-19-14-15(20(13)8-10(2)3)12(6-7-25(21,22)23)11(4)18-16(14)17/h10H,5-9H2,1-4H3,(H2,17,18)(H,21,22,23)
InChIKeyCNNDELHYKWMUKY-UHFFFAOYSA-N
XLogP1.94
TPSA120.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid?
The IUPAC name of 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid (CID 91476180) is 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid.
What is the SMILES notation for 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid?
The canonical SMILES for 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid is CCOCc1nc2c(N)nc(C)c(CCS(=O)(=O)O)c2n1CC(C)C.
What is the InChIKey of 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid?
The InChIKey is CNNDELHYKWMUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-5-24-9-13-19-14-15(20(13)8-10(2)3)12(6-7-25(21,22)23)11(4)18-16(14)17/h10H,5-9H2,1-4H3,(H2,17,18)(H,21,22,23).
What are the key properties of 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid?
2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid has a molecular weight of 370.48 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(ethoxymethyl)-6-methyl-1-(2-methylpropyl)imidazo[4,5-c]pyridin-7-yl]ethanesulfonic acid is sourced from PubChem (CID 91476180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).