(E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one

C21H15N3O — CID 155556186

IUPAC(E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1ccn2cc(-c3ccccc3)ncc12
InChIInChI=1S/C21H15N3O/c25-21(9-8-16-5-4-11-22-13-16)18-10-12-24-15-19(23-14-20(18)24)17-6-2-1-3-7-17/h1-15H/b9-8+
InChIKeyARTOYYSOPRDAPG-CMDGGOBGSA-N
MW325.37 g/mol
LogP4.29
Rot. Bonds4

About (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one

(E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 155556186) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one
PubChem CID155556186
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name(E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccnc1)c1ccn2cc(-c3ccccc3)ncc12
InChIInChI=1S/C21H15N3O/c25-21(9-8-16-5-4-11-22-13-16)18-10-12-24-15-19(23-14-20(18)24)17-6-2-1-3-7-17/h1-15H/b9-8+
InChIKeyARTOYYSOPRDAPG-CMDGGOBGSA-N
XLogP4.29
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one (CID 155556186) is (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1cccnc1)c1ccn2cc(-c3ccccc3)ncc12.
What is the InChIKey of (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is ARTOYYSOPRDAPG-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H15N3O/c25-21(9-8-16-5-4-11-22-13-16)18-10-12-24-15-19(23-14-20(18)24)17-6-2-1-3-7-17/h1-15H/b9-8+.
What are the key properties of (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 325.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-phenylpyrrolo[1,2-a]pyrazin-8-yl)-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 155556186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).