2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine

C8H10N4O2S — CID 79821236

IUPAC2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCS(=O)(=O)Cc1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C8H10N4O2S/c1-15(13,14)4-7-10-5-2-3-6(9)11-8(5)12-7/h2-3H,4H2,1H3,(H3,9,10,11,12)
InChIKeyTYCFJYKPGYYIAM-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.08
Rot. Bonds2

About 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821236) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821236
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCS(=O)(=O)Cc1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C8H10N4O2S/c1-15(13,14)4-7-10-5-2-3-6(9)11-8(5)12-7/h2-3H,4H2,1H3,(H3,9,10,11,12)
InChIKeyTYCFJYKPGYYIAM-UHFFFAOYSA-N
XLogP0.08
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821236) is 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine is CS(=O)(=O)Cc1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is TYCFJYKPGYYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-15(13,14)4-7-10-5-2-3-6(9)11-8(5)12-7/h2-3H,4H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 226.26 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).