(E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide

C16H12N6O — CID 118267938

IUPAC(E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide
SMILESN#C/C(=C\Cc1c[nH]c2ncc(-c3ccccn3)nc12)C(N)=O
InChIInChI=1S/C16H12N6O/c17-7-10(15(18)23)4-5-11-8-20-16-14(11)22-13(9-21-16)12-3-1-2-6-19-12/h1-4,6,8-9H,5H2,(H2,18,23)(H,20,21)/b10-4+
InChIKeyQGGZUFLOZOYSCI-ONNFQVAWSA-N
MW304.31 g/mol
LogP1.50
Rot. Bonds4

About (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide

(E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide (PubChem CID 118267938) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide
PubChem CID118267938
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name(E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide
SMILESN#C/C(=C\Cc1c[nH]c2ncc(-c3ccccn3)nc12)C(N)=O
InChIInChI=1S/C16H12N6O/c17-7-10(15(18)23)4-5-11-8-20-16-14(11)22-13(9-21-16)12-3-1-2-6-19-12/h1-4,6,8-9H,5H2,(H2,18,23)(H,20,21)/b10-4+
InChIKeyQGGZUFLOZOYSCI-ONNFQVAWSA-N
XLogP1.50
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)ethylidene]propanedinitrile
CID 118267864
(E)-2-acetyl-4-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enenitrile
CID 118267459
(E)-2-cyano-4-(2-cyclopentyloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide
CID 118267663
(E)-2-cyano-4-(4-propan-2-yloxy-1H-pyrrolo[2,3-b]pyridin-3-yl)but-2-enamide
CID 118267780
(E)-2-cyano-3-[2-[4-(2-hydroxypropan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267648
(E)-2-cyano-3-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267930
N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
CID 143234929
(Z)-2-acetyl-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-2-enenitrile
CID 122697140
(Z)-4-[2-(cyclopentylmethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-isocyanobut-2-enamide
CID 161265033
(E)-5-[2-(2-methylpropyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pent-3-en-2-one
CID 158955924
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
(E)-2-acetyl-4-[5-(2-hydroxy-2-methylpropoxy)-1H-pyrrolo[2,3-b]pyridin-3-yl]but-2-enenitrile
CID 118267462

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide?
The IUPAC name of (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide (CID 118267938) is (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide.
What is the SMILES notation for (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide?
The canonical SMILES for (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide is N#C/C(=C\Cc1c[nH]c2ncc(-c3ccccn3)nc12)C(N)=O.
What is the InChIKey of (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide?
The InChIKey is QGGZUFLOZOYSCI-ONNFQVAWSA-N. The full InChI is InChI=1S/C16H12N6O/c17-7-10(15(18)23)4-5-11-8-20-16-14(11)22-13(9-21-16)12-3-1-2-6-19-12/h1-4,6,8-9H,5H2,(H2,18,23)(H,20,21)/b10-4+.
What are the key properties of (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide?
(E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide has a molecular weight of 304.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-4-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)but-2-enamide is sourced from PubChem (CID 118267938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).