(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

C17H16N4O — CID 144894358

IUPAC(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESCCc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cc1
InChIInChI=1S/C17H16N4O/c1-2-11-3-5-12(6-4-11)14-10-20-17-16(21-14)13(9-19-17)7-8-15(18)22/h3-10H,2H2,1H3,(H2,18,22)(H,19,20)/b8-7+
InChIKeyPBCJMFLCULBFEY-BQYQJAHWSA-N
MW292.34 g/mol
LogP2.69
Rot. Bonds4

About (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (PubChem CID 144894358) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
PubChem CID144894358
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESCCc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cc1
InChIInChI=1S/C17H16N4O/c1-2-11-3-5-12(6-4-11)14-10-20-17-16(21-14)13(9-19-17)7-8-15(18)22/h3-10H,2H2,1H3,(H2,18,22)(H,19,20)/b8-7+
InChIKeyPBCJMFLCULBFEY-BQYQJAHWSA-N
XLogP2.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (CID 144894358) is (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is CCc1ccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)cc1.
What is the InChIKey of (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The InChIKey is PBCJMFLCULBFEY-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-11-3-5-12(6-4-11)14-10-20-17-16(21-14)13(9-19-17)7-8-15(18)22/h3-10H,2H2,1H3,(H2,18,22)(H,19,20)/b8-7+.
What are the key properties of (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide has a molecular weight of 292.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is sourced from PubChem (CID 144894358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).