2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one

C22H17FN4O2S — CID 146271731

IUPAC2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
SMILESO=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C22H17FN4O2S/c23-17-9-5-4-8-16(17)18(28)14-30-22-26-20-19(24-11-12-25-20)21(29)27(22)13-10-15-6-2-1-3-7-15/h1-9,11-12H,10,13-14H2
InChIKeyQXXKPAQNBMTUGU-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.54
Rot. Bonds7

About 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one

2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one (PubChem CID 146271731) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
PubChem CID146271731
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC Name2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
SMILESO=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)c1ccccc1F
InChIInChI=1S/C22H17FN4O2S/c23-17-9-5-4-8-16(17)18(28)14-30-22-26-20-19(24-11-12-25-20)21(29)27(22)13-10-15-6-2-1-3-7-15/h1-9,11-12H,10,13-14H2
InChIKeyQXXKPAQNBMTUGU-UHFFFAOYSA-N
XLogP3.54
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethylsulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 146271710
N-(3-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylacetamide
CID 22518383
2-ethylsulfanyl-3-[2-(3-fluorophenyl)ethyl]pteridin-4-one
CID 146271715
2-[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 167606799
(2R)-N-(4-fluorophenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylbutanamide
CID 51460604
2-[2-methyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 167639215
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pteridin-4-one
CID 22518504
2-ethylsulfanyl-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-4-one
CID 146271693
(2R)-N-(4-methylphenyl)-2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanylbutanamide
CID 51460602
2-[(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)methylsulfanyl]-3-(2-phenylethyl)pteridin-4-one
CID 146269053
2-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-oxopropyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one
CID 167629532
N-(2-fluorophenyl)-2-[3-(furan-2-ylmethyl)-4-oxopteridin-2-yl]sulfanylacetamide
CID 22518420

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one?
The IUPAC name of 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one (CID 146271731) is 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one?
The canonical SMILES for 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one is O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one?
The InChIKey is QXXKPAQNBMTUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c23-17-9-5-4-8-16(17)18(28)14-30-22-26-20-19(24-11-12-25-20)21(29)27(22)13-10-15-6-2-1-3-7-15/h1-9,11-12H,10,13-14H2.
What are the key properties of 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one?
2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one has a molecular weight of 420.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-2-oxoethyl]sulfanyl-3-(2-phenylethyl)pteridin-4-one is sourced from PubChem (CID 146271731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).