3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

C19H16N4O2S — CID 52937759

IUPAC3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C19H16N4O2S/c1-26(24,25)14-8-6-12(7-9-14)17-11-21-19(20)18(23-17)16-10-13-4-2-3-5-15(13)22-16/h2-11,22H,1H3,(H2,20,21)
InChIKeyMQWCGLLYOBFYNX-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.28
Rot. Bonds3

About 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine

3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 52937759) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID52937759
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C19H16N4O2S/c1-26(24,25)14-8-6-12(7-9-14)17-11-21-19(20)18(23-17)16-10-13-4-2-3-5-15(13)22-16/h2-11,22H,1H3,(H2,20,21)
InChIKeyMQWCGLLYOBFYNX-UHFFFAOYSA-N
XLogP3.28
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine (CID 52937759) is 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is MQWCGLLYOBFYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-26(24,25)14-8-6-12(7-9-14)17-11-21-19(20)18(23-17)16-10-13-4-2-3-5-15(13)22-16/h2-11,22H,1H3,(H2,20,21).
What are the key properties of 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine?
3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 364.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 52937759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).