6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one

C25H23F2N5O4S — CID 23434591

IUPAC6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)N1CCC(Nc2ncc3cc(Oc4ccccc4F)c(=O)n(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C25H23F2N5O4S/c1-37(34,35)31-12-10-18(11-13-31)29-25-28-15-16-14-22(36-21-5-3-2-4-20(21)27)24(33)32(23(16)30-25)19-8-6-17(26)7-9-19/h2-9,14-15,18H,10-13H2,1H3,(H,28,29,30)
InChIKeyAQEYOTSSDIIPKU-UHFFFAOYSA-N
MW527.55 g/mol
LogP3.69
Rot. Bonds6

About 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one

6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434591) has the molecular formula C25H23F2N5O4S and a molecular weight of 527.55 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID23434591
Molecular FormulaC25H23F2N5O4S
Molecular Weight527.55 g/mol
Exact Mass527.14
IUPAC Name6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)N1CCC(Nc2ncc3cc(Oc4ccccc4F)c(=O)n(-c4ccc(F)cc4)c3n2)CC1
InChIInChI=1S/C25H23F2N5O4S/c1-37(34,35)31-12-10-18(11-13-31)29-25-28-15-16-14-22(36-21-5-3-2-4-20(21)27)24(33)32(23(16)30-25)19-8-6-17(26)7-9-19/h2-9,14-15,18H,10-13H2,1H3,(H,28,29,30)
InChIKeyAQEYOTSSDIIPKU-UHFFFAOYSA-N
XLogP3.69
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 23434591) is 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)N1CCC(Nc2ncc3cc(Oc4ccccc4F)c(=O)n(-c4ccc(F)cc4)c3n2)CC1.
What is the InChIKey of 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AQEYOTSSDIIPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O4S/c1-37(34,35)31-12-10-18(11-13-31)29-25-28-15-16-14-22(36-21-5-3-2-4-20(21)27)24(33)32(23(16)30-25)19-8-6-17(26)7-9-19/h2-9,14-15,18H,10-13H2,1H3,(H,28,29,30).
What are the key properties of 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 527.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-8-(4-fluorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).