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

C24H23FN6O2 — CID 3234332

IUPAC8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C24H23FN6O2/c1-33-19-8-4-17(5-9-19)21-23(32)31(15-16-2-6-18(25)7-3-16)22-20(28-21)14-27-24(29-22)30-12-10-26-11-13-30/h2-9,14,26H,10-13,15H2,1H3
InChIKeyTYDIODOZKKFPIB-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.46
Rot. Bonds5

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

8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one (PubChem CID 3234332) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
PubChem CID3234332
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C24H23FN6O2/c1-33-19-8-4-17(5-9-19)21-23(32)31(15-16-2-6-18(25)7-3-16)22-20(28-21)14-27-24(29-22)30-12-10-26-11-13-30/h2-9,14,26H,10-13,15H2,1H3
InChIKeyTYDIODOZKKFPIB-UHFFFAOYSA-N
XLogP2.46
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one (CID 3234332) is 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one is COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The InChIKey is TYDIODOZKKFPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-33-19-8-4-17(5-9-19)21-23(32)31(15-16-2-6-18(25)7-3-16)22-20(28-21)14-27-24(29-22)30-12-10-26-11-13-30/h2-9,14,26H,10-13,15H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one has a molecular weight of 446.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3234332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).