(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol

C20H15FN2OS — CID 137295747

IUPAC(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
SMILESCc1cnc(/C=C(\O)c2cccs2)c2ccc(-c3ccccc3F)n12
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/h2-12,24H,1H3/b19-11-
InChIKeyYEIMFBFBVRMQCX-ODLFYWEKSA-N
MW350.42 g/mol
LogP5.57
Rot. Bonds3

About (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol

(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol (PubChem CID 137295747) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol.

Molecular Properties

Compound Name(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
PubChem CID137295747
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
SMILESCc1cnc(/C=C(\O)c2cccs2)c2ccc(-c3ccccc3F)n12
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/h2-12,24H,1H3/b19-11-
InChIKeyYEIMFBFBVRMQCX-ODLFYWEKSA-N
XLogP5.57
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol?
The IUPAC name of (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol (CID 137295747) is (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol.
What is the SMILES notation for (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol?
The canonical SMILES for (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol is Cc1cnc(/C=C(\O)c2cccs2)c2ccc(-c3ccccc3F)n12.
What is the InChIKey of (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol?
The InChIKey is YEIMFBFBVRMQCX-ODLFYWEKSA-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/h2-12,24H,1H3/b19-11-.
What are the key properties of (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol?
(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol has a molecular weight of 350.42 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol is sourced from PubChem (CID 137295747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).