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

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Related Compounds

R-1487
CID 11406590
6-(2,4-Difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one hydrochloride
CID 54580957
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 59
CID 5330245
6-(2,4-difluorophenoxy)-8-methyl-2-{[(1R)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44517630
6-(2,4-difluorophenoxy)-8-methyl-2-[(1-methylethyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44517631
6-(2,4-Difluorophenoxy)-8-ethyl-2-(tetrahydro-2h-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8h)-one
CID 23434538
6-(2,4-difluorophenoxy)-8-methyl-2-{[(1S)-1-methyl-2-(methylsulfonyl)ethyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44517629
2-(1-Acetyl-piperidin-4-ylamino)-6-(2,4-difluorophenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 52936613
Sdccgrch-0000013.P001
CID 52937239
6-(2,4-Difluorophenoxy)-8-(1-methanesulfonyl-piperidin-4-yl)-2-(tetrahydropyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 52937243

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).