1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one

C19H17FN2O2S — CID 7386599

IUPAC1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(SCc3ccccc3F)c2=O)cc1
InChIInChI=1S/C19H17FN2O2S/c1-2-24-16-9-7-15(8-10-16)22-12-11-21-18(19(22)23)25-13-14-5-3-4-6-17(14)20/h3-12H,2,13H2,1H3
InChIKeyVQLLFRVDUUCGQE-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one

1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one (PubChem CID 7386599) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one
PubChem CID7386599
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one
SMILESCCOc1ccc(-n2ccnc(SCc3ccccc3F)c2=O)cc1
InChIInChI=1S/C19H17FN2O2S/c1-2-24-16-9-7-15(8-10-16)22-12-11-21-18(19(22)23)25-13-14-5-3-4-6-17(14)20/h3-12H,2,13H2,1H3
InChIKeyVQLLFRVDUUCGQE-UHFFFAOYSA-N
XLogP4.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4519035
3-(4-Fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5080198
2-(3,4-Difluorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3370398
N-cyclopentyl-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7386612
(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763
4-benzyloxy-1-{4-[2-(dimethylamino)ethoxy]phenyl}-1H-pyridin-2-one
CID 11559625
4-(Benzyloxy)-1-{4-[2-(diethylamino)ethoxy]phenyl}-pyridin-2(1H)-one
CID 11596311
TC-MCH 7c
CID 11654412
4-[(2-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 53317305
4-[(3-Fluorobenzyl)oxy]-1-{4-[2-(pyrrolidin-1-yl)ethoxy]-phenyl}pyridin-2(1H)-one
CID 53317306
4-(Benzyloxy)-1-(4-{[1-(dimethylamino)-2-methylpropan-2-yl]oxy}phenyl)pyridin-2(1H)-one
CID 53324269
4-(Benzyloxy)-1-(4-{[1-(dimethylamino)propan-2-yl]-oxy}phenyl)pyridin-2(1H)-one
CID 53325165

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one (CID 7386599) is 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one is CCOc1ccc(-n2ccnc(SCc3ccccc3F)c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one?
The InChIKey is VQLLFRVDUUCGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-2-24-16-9-7-15(8-10-16)22-12-11-21-18(19(22)23)25-13-14-5-3-4-6-17(14)20/h3-12H,2,13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one?
1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one has a molecular weight of 356.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(2-fluorophenyl)methylsulfanyl]pyrazin-2-one is sourced from PubChem (CID 7386599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).