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

C17H14N4O2 — CID 118264175

IUPAC(E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESCC(=O)c1cccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)c1
InChIInChI=1S/C17H14N4O2/c1-10(22)11-3-2-4-12(7-11)14-9-20-17-16(21-14)13(8-19-17)5-6-15(18)23/h2-9H,1H3,(H2,18,23)(H,19,20)/b6-5+
InChIKeyHTLIDISIKBAPOO-AATRIKPKSA-N
MW306.33 g/mol
LogP2.33
Rot. Bonds4

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

(E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (PubChem CID 118264175) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
PubChem CID118264175
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name(E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESCC(=O)c1cccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)c1
InChIInChI=1S/C17H14N4O2/c1-10(22)11-3-2-4-12(7-11)14-9-20-17-16(21-14)13(8-19-17)5-6-15(18)23/h2-9H,1H3,(H2,18,23)(H,19,20)/b6-5+
InChIKeyHTLIDISIKBAPOO-AATRIKPKSA-N
XLogP2.33
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(4-chloro-3-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705547
(E)-3-[2-(4-fluoro-3-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705548
(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 144894358
(E)-3-[2-[4-(4-propan-2-ylbenzoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267521
(E)-3-[2-(6-chloroquinolin-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267688
(E)-3-[2-[3-chloro-4-(2-hydroxypropan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267669
(E)-3-[2-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267527
(E)-3-[2-(6-isocyano-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 123582062
(E)-3-[2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267806
(E)-3-[2-[3-fluoro-5-(2-hydroxypropan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267445
(E)-3-[2-(6-ethoxy-5-fluoro-3-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705550
(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705521

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (CID 118264175) is (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is CC(=O)c1cccc(-c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)c1.
What is the InChIKey of (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The InChIKey is HTLIDISIKBAPOO-AATRIKPKSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10(22)11-3-2-4-12(7-11)14-9-20-17-16(21-14)13(8-19-17)5-6-15(18)23/h2-9H,1H3,(H2,18,23)(H,19,20)/b6-5+.
What are the key properties of (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
(E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide has a molecular weight of 306.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(3-acetylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is sourced from PubChem (CID 118264175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).