(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol

C22H17FN2O — CID 137295748

IUPAC(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
SMILESCc1cnc(/C=C(\O)c2ccccc2)c2ccc(-c3cccc(F)c3)n12
InChIInChI=1S/C22H17FN2O/c1-15-14-24-19(13-22(26)16-6-3-2-4-7-16)21-11-10-20(25(15)21)17-8-5-9-18(23)12-17/h2-14,26H,1H3/b22-13-
InChIKeyGRXJRFFQPOMWNS-XKZIYDEJSA-N
MW344.39 g/mol
LogP5.50
Rot. Bonds3

About (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol

(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol (PubChem CID 137295748) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol.

Molecular Properties

Compound Name(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
PubChem CID137295748
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
SMILESCc1cnc(/C=C(\O)c2ccccc2)c2ccc(-c3cccc(F)c3)n12
InChIInChI=1S/C22H17FN2O/c1-15-14-24-19(13-22(26)16-6-3-2-4-7-16)21-11-10-20(25(15)21)17-8-5-9-18(23)12-17/h2-14,26H,1H3/b22-13-
InChIKeyGRXJRFFQPOMWNS-XKZIYDEJSA-N
XLogP5.50
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol?
The IUPAC name of (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol (CID 137295748) is (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol.
What is the SMILES notation for (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol?
The canonical SMILES for (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol is Cc1cnc(/C=C(\O)c2ccccc2)c2ccc(-c3cccc(F)c3)n12.
What is the InChIKey of (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol?
The InChIKey is GRXJRFFQPOMWNS-XKZIYDEJSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-15-14-24-19(13-22(26)16-6-3-2-4-7-16)21-11-10-20(25(15)21)17-8-5-9-18(23)12-17/h2-14,26H,1H3/b22-13-.
What are the key properties of (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol?
(Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol has a molecular weight of 344.39 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[6-(3-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol is sourced from PubChem (CID 137295748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).