2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile

C16H10N6 — CID 118267864

IUPAC2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile
SMILESN#CC(C#N)=CCc1c[nH]c2ncc(-c3ccccn3)nc12
InChIInChI=1S/C16H10N6/c17-7-11(8-18)4-5-12-9-20-16-15(12)22-14(10-21-16)13-3-1-2-6-19-13/h1-4,6,9-10H,5H2,(H,20,21)
InChIKeyFWSYTCSVNIAUJW-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.54
Rot. Bonds3

About 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile

2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile (PubChem CID 118267864) has the molecular formula C16H10N6 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile
PubChem CID118267864
Molecular FormulaC16H10N6
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile
SMILESN#CC(C#N)=CCc1c[nH]c2ncc(-c3ccccn3)nc12
InChIInChI=1S/C16H10N6/c17-7-11(8-18)4-5-12-9-20-16-15(12)22-14(10-21-16)13-3-1-2-6-19-13/h1-4,6,9-10H,5H2,(H,20,21)
InChIKeyFWSYTCSVNIAUJW-UHFFFAOYSA-N
XLogP2.54
TPSA102.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile?
The IUPAC name of 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile (CID 118267864) is 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile.
What is the SMILES notation for 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile?
The canonical SMILES for 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile is N#CC(C#N)=CCc1c[nH]c2ncc(-c3ccccn3)nc12.
What is the InChIKey of 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile?
The InChIKey is FWSYTCSVNIAUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6/c17-7-11(8-18)4-5-12-9-20-16-15(12)22-14(10-21-16)13-3-1-2-6-19-13/h1-4,6,9-10H,5H2,(H,20,21).
What are the key properties of 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile?
2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile has a molecular weight of 286.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile is sourced from PubChem (CID 118267864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).