(Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile

C17H13N5 — CID 90000259

IUPAC(Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C\C1CC1)c1cc(-c2cnc3[nH]ccc3n2)ccn1
InChIInChI=1S/C17H13N5/c18-9-13(7-11-1-2-11)15-8-12(3-5-19-15)16-10-21-17-14(22-16)4-6-20-17/h3-8,10-11H,1-2H2,(H,20,21)/b13-7+
InChIKeyZUAIXZHXUDTGME-NTUHNPAUSA-N
MW287.33 g/mol
LogP3.34
Rot. Bonds3

About (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile

(Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile (PubChem CID 90000259) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile
PubChem CID90000259
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name(Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile
SMILESN#C/C(=C\C1CC1)c1cc(-c2cnc3[nH]ccc3n2)ccn1
InChIInChI=1S/C17H13N5/c18-9-13(7-11-1-2-11)15-8-12(3-5-19-15)16-10-21-17-14(22-16)4-6-20-17/h3-8,10-11H,1-2H2,(H,20,21)/b13-7+
InChIKeyZUAIXZHXUDTGME-NTUHNPAUSA-N
XLogP3.34
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile (CID 90000259) is (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile is N#C/C(=C\C1CC1)c1cc(-c2cnc3[nH]ccc3n2)ccn1.
What is the InChIKey of (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile?
The InChIKey is ZUAIXZHXUDTGME-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H13N5/c18-9-13(7-11-1-2-11)15-8-12(3-5-19-15)16-10-21-17-14(22-16)4-6-20-17/h3-8,10-11H,1-2H2,(H,20,21)/b13-7+.
What are the key properties of (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile?
(Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile has a molecular weight of 287.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-2-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]prop-2-enenitrile is sourced from PubChem (CID 90000259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).