8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one

C24H23FN6O — CID 3234172

IUPAC8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
SMILESCN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(Cc4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C24H23FN6O/c1-29-11-13-30(14-12-29)24-26-15-20-22(28-24)31(16-17-7-9-19(25)10-8-17)23(32)21(27-20)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3
InChIKeySBCCSJPMICDSGK-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.79
Rot. Bonds4

About 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one

8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one (PubChem CID 3234172) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
PubChem CID3234172
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
SMILESCN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(Cc4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C24H23FN6O/c1-29-11-13-30(14-12-29)24-26-15-20-22(28-24)31(16-17-7-9-19(25)10-8-17)23(32)21(27-20)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3
InChIKeySBCCSJPMICDSGK-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one (CID 3234172) is 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one is CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(Cc4ccc(F)cc4)c3n2)CC1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
The InChIKey is SBCCSJPMICDSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-29-11-13-30(14-12-29)24-26-15-20-22(28-24)31(16-17-7-9-19(25)10-8-17)23(32)21(27-20)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one?
8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one has a molecular weight of 430.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one is sourced from PubChem (CID 3234172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).