(2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone

C20H15FN2OS — CID 134850171

IUPAC(2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone
SMILESC=C1CN/C(=C\C(=O)c2cccs2)c2ccc(-c3ccccc3F)n21
InChIInChI=1S/C20H15FN2OS/c1-13-12-22-16(11-19(24)20-7-4-10-25-20)18-9-8-17(23(13)18)14-5-2-3-6-15(14)21/h2-11,22H,1,12H2/b16-11-
InChIKeyXQWYLAMPIHNEIW-WJDWOHSUSA-N
MW350.42 g/mol
LogP4.65
Rot. Bonds3

About (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone

(2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone (PubChem CID 134850171) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name(2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone
PubChem CID134850171
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name(2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone
SMILESC=C1CN/C(=C\C(=O)c2cccs2)c2ccc(-c3ccccc3F)n21
InChIInChI=1S/C20H15FN2OS/c1-13-12-22-16(11-19(24)20-7-4-10-25-20)18-9-8-17(23(13)18)14-5-2-3-6-15(14)21/h2-11,22H,1,12H2/b16-11-
InChIKeyXQWYLAMPIHNEIW-WJDWOHSUSA-N
XLogP4.65
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
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 (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone?
The IUPAC name of (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone (CID 134850171) is (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone.
What is the SMILES notation for (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone?
The canonical SMILES for (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone is C=C1CN/C(=C\C(=O)c2cccs2)c2ccc(-c3ccccc3F)n21.
What is the InChIKey of (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone?
The InChIKey is XQWYLAMPIHNEIW-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H15FN2OS/c1-13-12-22-16(11-19(24)20-7-4-10-25-20)18-9-8-17(23(13)18)14-5-2-3-6-15(14)21/h2-11,22H,1,12H2/b16-11-.
What are the key properties of (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone?
(2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone has a molecular weight of 350.42 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[6-(2-fluorophenyl)-4-methylidene-2,3-dihydropyrrolo[1,2-a]pyrazin-1-ylidene]-1-thiophen-2-ylethanone is sourced from PubChem (CID 134850171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).