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

C19H16N6O2 — CID 44528502

IUPAC5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine
SMILESCCn1c(-c2nc(-c3ccc4c(c3)OCO4)cnc2N)nc2cnccc21
InChIInChI=1S/C19H16N6O2/c1-2-25-14-5-6-21-8-13(14)24-19(25)17-18(20)22-9-12(23-17)11-3-4-15-16(7-11)27-10-26-15/h3-9H,2,10H2,1H3,(H2,20,22)
InChIKeyZBEQRBKXCIQGJI-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.89
Rot. Bonds3

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

5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine (PubChem CID 44528502) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine
PubChem CID44528502
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine
SMILESCCn1c(-c2nc(-c3ccc4c(c3)OCO4)cnc2N)nc2cnccc21
InChIInChI=1S/C19H16N6O2/c1-2-25-14-5-6-21-8-13(14)24-19(25)17-18(20)22-9-12(23-17)11-3-4-15-16(7-11)27-10-26-15/h3-9H,2,10H2,1H3,(H2,20,22)
InChIKeyZBEQRBKXCIQGJI-UHFFFAOYSA-N
XLogP2.89
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine (CID 44528502) is 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine is CCn1c(-c2nc(-c3ccc4c(c3)OCO4)cnc2N)nc2cnccc21.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine?
The InChIKey is ZBEQRBKXCIQGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-2-25-14-5-6-21-8-13(14)24-19(25)17-18(20)22-9-12(23-17)11-3-4-15-16(7-11)27-10-26-15/h3-9H,2,10H2,1H3,(H2,20,22).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine?
5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine has a molecular weight of 360.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazo[4,5-c]pyridin-2-yl)pyrazin-2-amine is sourced from PubChem (CID 44528502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).