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

C20H15FN2OS — CID 137295752

IUPAC(Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
SMILESCc1cnc(/C=C(\O)c2cccs2)c2ccc(-c3ccc(F)cc3)n12
InChIInChI=1S/C20H15FN2OS/c1-13-12-22-16(11-19(24)20-3-2-10-25-20)18-9-8-17(23(13)18)14-4-6-15(21)7-5-14/h2-12,24H,1H3/b19-11-
InChIKeyGEFKKKOKURIEHE-ODLFYWEKSA-N
MW350.42 g/mol
LogP5.57
Rot. Bonds3

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

(Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol (PubChem CID 137295752) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is (Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol.

Molecular Properties

Compound Name(Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
PubChem CID137295752
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name(Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
SMILESCc1cnc(/C=C(\O)c2cccs2)c2ccc(-c3ccc(F)cc3)n12
InChIInChI=1S/C20H15FN2OS/c1-13-12-22-16(11-19(24)20-3-2-10-25-20)18-9-8-17(23(13)18)14-4-6-15(21)7-5-14/h2-12,24H,1H3/b19-11-
InChIKeyGEFKKKOKURIEHE-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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Related Compounds

US10377753, Example 339
CID 124176190
3-Methyl-1-[2-(3-thiophen-3-ylphenyl)ethynyl]-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazine
CID 44453246
[5-(1-Phenylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134142080
(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
CID 137295746
(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
CID 137295747
(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
CID 137295748
(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol
CID 137295750
(Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
CID 137295751
(S)-[1-[(1-methylindol-5-yl)methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 99946416
1-(4-Fluorophenyl)-1-piperazin-1-yl-4-thieno[3,2-c]pyridin-4-ylbutan-1-ol
CID 57239630
[2-(3-Fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463363
[4-(2,4-Difluorophenyl)-1-methyl-2-thiophen-3-ylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463373

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol?
The IUPAC name of (Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol (CID 137295752) is (Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol.
What is the SMILES notation for (Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol?
The canonical SMILES for (Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol is Cc1cnc(/C=C(\O)c2cccs2)c2ccc(-c3ccc(F)cc3)n12.
What is the InChIKey of (Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol?
The InChIKey is GEFKKKOKURIEHE-ODLFYWEKSA-N. The full InChI is InChI=1S/C20H15FN2OS/c1-13-12-22-16(11-19(24)20-3-2-10-25-20)18-9-8-17(23(13)18)14-4-6-15(21)7-5-14/h2-12,24H,1H3/b19-11-.
What are the key properties of (Z)-2-[6-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol?
(Z)-2-[6-(4-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-(4-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-thiophen-2-ylethenol is sourced from PubChem (CID 137295752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).