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

C22H17FN2O — CID 137295746

IUPAC(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
SMILESCc1cnc(/C=C(\O)c2ccccc2)c2ccc(-c3ccccc3F)n12
InChIInChI=1S/C22H17FN2O/c1-15-14-24-19(13-22(26)16-7-3-2-4-8-16)21-12-11-20(25(15)21)17-9-5-6-10-18(17)23/h2-14,26H,1H3/b22-13-
InChIKeyYUSCAILTMNLITI-XKZIYDEJSA-N
MW344.39 g/mol
LogP5.50
Rot. Bonds3

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

(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol (PubChem CID 137295746) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol.

Molecular Properties

Compound Name(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
PubChem CID137295746
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name(Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol
SMILESCc1cnc(/C=C(\O)c2ccccc2)c2ccc(-c3ccccc3F)n12
InChIInChI=1S/C22H17FN2O/c1-15-14-24-19(13-22(26)16-7-3-2-4-8-16)21-12-11-20(25(15)21)17-9-5-6-10-18(17)23/h2-14,26H,1H3/b22-13-
InChIKeyYUSCAILTMNLITI-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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Related Compounds

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2-Hydroxy-2,3-diphenyl-2,3-dihydro-1H-indolizinylium
CID 16236812
1-(1-Phenyl-1H-pyrrol-3-ylmethyl)-4-(3-trifluoromethyl-phenyl)-piperidin-4-ol
CID 10597114
(1-(4-Fluorobenzyl)-1H-indol-3-yl)methanol
CID 15312694
[1-[(3-Fluorophenyl)methyl]indol-3-yl]methanol
CID 20109672
1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-butan-1-ol
CID 44351077
4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1-(4-fluorophenyl)butan-1-ol
CID 44372860
4-(4-Fluorophenyl)-1-[(1H-indol-3-yl)methyl]piperidin-4-ol
CID 44438204
3-[2-(3-Methylpyrrolo[1,2-a]pyrazin-1-yl)ethynyl]phenol
CID 44453455
[5-Fluoro-1-[(4-methylphenyl)methyl]indol-3-yl]methanol
CID 52951101
3-(Dimethylamino)-1-(1-methyl-1H-indol-3-yl)-1-phenylpropan-1-ol
CID 59462

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol?
The IUPAC name of (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol (CID 137295746) is (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol.
What is the SMILES notation for (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol?
The canonical SMILES for (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol is Cc1cnc(/C=C(\O)c2ccccc2)c2ccc(-c3ccccc3F)n12.
What is the InChIKey of (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol?
The InChIKey is YUSCAILTMNLITI-XKZIYDEJSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-15-14-24-19(13-22(26)16-7-3-2-4-8-16)21-12-11-20(25(15)21)17-9-5-6-10-18(17)23/h2-14,26H,1H3/b22-13-.
What are the key properties of (Z)-2-[6-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol?
(Z)-2-[6-(2-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-(2-fluorophenyl)-4-methylpyrrolo[1,2-a]pyrazin-1-yl]-1-phenylethenol is sourced from PubChem (CID 137295746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).