6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one

C24H17FN4O3S — CID 3233364

IUPAC6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(Cc4cccs4)c3n2)cc1
InChIInChI=1S/C24H17FN4O3S/c1-31-17-8-10-18(11-9-17)32-24-26-13-20-22(28-24)29(14-19-3-2-12-33-19)23(30)21(27-20)15-4-6-16(25)7-5-15/h2-13H,14H2,1H3
InChIKeyZSODFLAPZWFFEN-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.90
Rot. Bonds6

About 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one

6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233364) has the molecular formula C24H17FN4O3S and a molecular weight of 460.49 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233364
Molecular FormulaC24H17FN4O3S
Molecular Weight460.49 g/mol
Exact Mass460.10
IUPAC Name6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(Cc4cccs4)c3n2)cc1
InChIInChI=1S/C24H17FN4O3S/c1-31-17-8-10-18(11-9-17)32-24-26-13-20-22(28-24)29(14-19-3-2-12-33-19)23(30)21(27-20)15-4-6-16(25)7-5-15/h2-13H,14H2,1H3
InChIKeyZSODFLAPZWFFEN-UHFFFAOYSA-N
XLogP4.90
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233364) is 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one is COc1ccc(Oc2ncc3nc(-c4ccc(F)cc4)c(=O)n(Cc4cccs4)c3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is ZSODFLAPZWFFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3S/c1-31-17-8-10-18(11-9-17)32-24-26-13-20-22(28-24)29(14-19-3-2-12-33-19)23(30)21(27-20)15-4-6-16(25)7-5-15/h2-13H,14H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 460.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(4-methoxyphenoxy)-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).