6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one

C22H18F2N6O — CID 3233487

IUPAC6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESO=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1
InChIInChI=1S/C22H18F2N6O/c23-15-10-14(11-16(24)12-15)19-21(31)30(17-4-2-1-3-5-17)20-18(27-19)13-26-22(28-20)29-8-6-25-7-9-29/h1-5,10-13,25H,6-9H2
InChIKeyXUWAPSCWGPBPHR-UHFFFAOYSA-N
MW420.42 g/mol
LogP2.53
Rot. Bonds3

About 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one

6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3233487) has the molecular formula C22H18F2N6O and a molecular weight of 420.42 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3233487
Molecular FormulaC22H18F2N6O
Molecular Weight420.42 g/mol
Exact Mass420.15
IUPAC Name6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one
SMILESO=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1
InChIInChI=1S/C22H18F2N6O/c23-15-10-14(11-16(24)12-15)19-21(31)30(17-4-2-1-3-5-17)20-18(27-19)13-26-22(28-20)29-8-6-25-7-9-29/h1-5,10-13,25H,6-9H2
InChIKeyXUWAPSCWGPBPHR-UHFFFAOYSA-N
XLogP2.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one (CID 3233487) is 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one is O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1-c1ccccc1.
What is the InChIKey of 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is XUWAPSCWGPBPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N6O/c23-15-10-14(11-16(24)12-15)19-21(31)30(17-4-2-1-3-5-17)20-18(27-19)13-26-22(28-20)29-8-6-25-7-9-29/h1-5,10-13,25H,6-9H2.
What are the key properties of 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one?
6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 420.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-8-phenyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3233487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).