3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

C17H14N6O2S — CID 67426234

IUPAC3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccncc4[nH]3)n2)cc1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)11-4-2-10(3-5-11)13-9-20-16(18)15(21-13)17-22-12-6-7-19-8-14(12)23-17/h2-9H,1H3,(H2,18,20)(H,22,23)
InChIKeyQKMHLNDQJMBTJW-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.07
Rot. Bonds3

About 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 67426234) has the molecular formula C17H14N6O2S and a molecular weight of 366.41 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID67426234
Molecular FormulaC17H14N6O2S
Molecular Weight366.41 g/mol
Exact Mass366.09
IUPAC Name3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccncc4[nH]3)n2)cc1
InChIInChI=1S/C17H14N6O2S/c1-26(24,25)11-4-2-10(3-5-11)13-9-20-16(18)15(21-13)17-22-12-6-7-19-8-14(12)23-17/h2-9H,1H3,(H2,18,20)(H,22,23)
InChIKeyQKMHLNDQJMBTJW-UHFFFAOYSA-N
XLogP2.07
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 67426234) is 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccncc4[nH]3)n2)cc1.
What is the InChIKey of 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is QKMHLNDQJMBTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S/c1-26(24,25)11-4-2-10(3-5-11)13-9-20-16(18)15(21-13)17-22-12-6-7-19-8-14(12)23-17/h2-9H,1H3,(H2,18,20)(H,22,23).
What are the key properties of 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 366.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 67426234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).