3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine

C14H14N4O2S — CID 79273085

IUPAC3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(Cn2c(N)nc3cccnc32)cc1
InChIInChI=1S/C14H14N4O2S/c1-21(19,20)11-6-4-10(5-7-11)9-18-13-12(17-14(18)15)3-2-8-16-13/h2-8H,9H2,1H3,(H2,15,17)
InChIKeySVFKYEWKRNRXOZ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.47
Rot. Bonds3

About 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine

3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79273085) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79273085
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(Cn2c(N)nc3cccnc32)cc1
InChIInChI=1S/C14H14N4O2S/c1-21(19,20)11-6-4-10(5-7-11)9-18-13-12(17-14(18)15)3-2-8-16-13/h2-8H,9H2,1H3,(H2,15,17)
InChIKeySVFKYEWKRNRXOZ-UHFFFAOYSA-N
XLogP1.47
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 79273085) is 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine is CS(=O)(=O)c1ccc(Cn2c(N)nc3cccnc32)cc1.
What is the InChIKey of 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is SVFKYEWKRNRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-21(19,20)11-6-4-10(5-7-11)9-18-13-12(17-14(18)15)3-2-8-16-13/h2-8H,9H2,1H3,(H2,15,17).
What are the key properties of 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine?
3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 302.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79273085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).