6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one

C23H21FN6O2 — CID 3234530

IUPAC6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCNCC4)nc32)cc1
InChIInChI=1S/C23H21FN6O2/c1-32-18-8-6-17(7-9-18)30-21-19(14-26-23(28-21)29-12-10-25-11-13-29)27-20(22(30)31)15-2-4-16(24)5-3-15/h2-9,14,25H,10-13H2,1H3
InChIKeyGUYMDDZLFOQLSL-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.40
Rot. Bonds4

About 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one

6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one (PubChem CID 3234530) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
PubChem CID3234530
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCNCC4)nc32)cc1
InChIInChI=1S/C23H21FN6O2/c1-32-18-8-6-17(7-9-18)30-21-19(14-26-23(28-21)29-12-10-25-11-13-29)27-20(22(30)31)15-2-4-16(24)5-3-15/h2-9,14,25H,10-13H2,1H3
InChIKeyGUYMDDZLFOQLSL-UHFFFAOYSA-N
XLogP2.40
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one (CID 3234530) is 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one is COc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCNCC4)nc32)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The InChIKey is GUYMDDZLFOQLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-32-18-8-6-17(7-9-18)30-21-19(14-26-23(28-21)29-12-10-25-11-13-29)27-20(22(30)31)15-2-4-16(24)5-3-15/h2-9,14,25H,10-13H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one has a molecular weight of 432.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-8-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3234530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).