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

C22H26FN5O3S — CID 23551720

IUPAC6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCCS(=O)(=O)N1CCC(Nc2ncc3cc(-c4ccccc4F)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C22H26FN5O3S/c1-3-12-32(30,31)28-10-8-16(9-11-28)25-22-24-14-15-13-18(17-6-4-5-7-19(17)23)21(29)27(2)20(15)26-22/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,24,25,26)
InChIKeyZNNXGLWXVHEXOF-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.75
Rot. Bonds6

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

6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23551720) has the molecular formula C22H26FN5O3S and a molecular weight of 459.55 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID23551720
Molecular FormulaC22H26FN5O3S
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCCCS(=O)(=O)N1CCC(Nc2ncc3cc(-c4ccccc4F)c(=O)n(C)c3n2)CC1
InChIInChI=1S/C22H26FN5O3S/c1-3-12-32(30,31)28-10-8-16(9-11-28)25-22-24-14-15-13-18(17-6-4-5-7-19(17)23)21(29)27(2)20(15)26-22/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,24,25,26)
InChIKeyZNNXGLWXVHEXOF-UHFFFAOYSA-N
XLogP2.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 23551720) is 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is CCCS(=O)(=O)N1CCC(Nc2ncc3cc(-c4ccccc4F)c(=O)n(C)c3n2)CC1.
What is the InChIKey of 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZNNXGLWXVHEXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O3S/c1-3-12-32(30,31)28-10-8-16(9-11-28)25-22-24-14-15-13-18(17-6-4-5-7-19(17)23)21(29)27(2)20(15)26-22/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 459.55 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-8-methyl-2-[(1-propylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23551720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).