3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine

C19H18N6O2S — CID 59852413

IUPAC3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine
SMILESCCn1c(-c2nc(-c3cccc(S(C)(=O)=O)c3)cnc2N)nc2cnccc21
InChIInChI=1S/C19H18N6O2S/c1-3-25-16-7-8-21-10-15(16)24-19(25)17-18(20)22-11-14(23-17)12-5-4-6-13(9-12)28(2,26)27/h4-11H,3H2,1-2H3,(H2,20,22)
InChIKeyUXXSYJABFXVAHI-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.56
Rot. Bonds4

About 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine

3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine (PubChem CID 59852413) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine
PubChem CID59852413
Molecular FormulaC19H18N6O2S
Molecular Weight394.46 g/mol
Exact Mass394.12
IUPAC Name3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine
SMILESCCn1c(-c2nc(-c3cccc(S(C)(=O)=O)c3)cnc2N)nc2cnccc21
InChIInChI=1S/C19H18N6O2S/c1-3-25-16-7-8-21-10-15(16)24-19(25)17-18(20)22-11-14(23-17)12-5-4-6-13(9-12)28(2,26)27/h4-11H,3H2,1-2H3,(H2,20,22)
InChIKeyUXXSYJABFXVAHI-UHFFFAOYSA-N
XLogP2.56
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine (CID 59852413) is 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine is CCn1c(-c2nc(-c3cccc(S(C)(=O)=O)c3)cnc2N)nc2cnccc21.
What is the InChIKey of 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is UXXSYJABFXVAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-3-25-16-7-8-21-10-15(16)24-19(25)17-18(20)22-11-14(23-17)12-5-4-6-13(9-12)28(2,26)27/h4-11H,3H2,1-2H3,(H2,20,22).
What are the key properties of 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine?
3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 394.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazo[4,5-c]pyridin-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 59852413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).