6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

C24H27F2N5O5S — CID 52937243

IUPAC6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)N1CCC(n2c(=O)c(Oc3ccc(F)cc3F)cc3cnc(NC4CCOCC4)nc32)CC1
InChIInChI=1S/C24H27F2N5O5S/c1-37(33,34)30-8-4-18(5-9-30)31-22-15(14-27-24(29-22)28-17-6-10-35-11-7-17)12-21(23(31)32)36-20-3-2-16(25)13-19(20)26/h2-3,12-14,17-18H,4-11H2,1H3,(H,27,28,29)
InChIKeyASOVUAMIHHQHJF-UHFFFAOYSA-N
MW535.57 g/mol
LogP3.05
Rot. Bonds6

About 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 52937243) has the molecular formula C24H27F2N5O5S and a molecular weight of 535.57 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID52937243
Molecular FormulaC24H27F2N5O5S
Molecular Weight535.57 g/mol
Exact Mass535.17
IUPAC Name6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCS(=O)(=O)N1CCC(n2c(=O)c(Oc3ccc(F)cc3F)cc3cnc(NC4CCOCC4)nc32)CC1
InChIInChI=1S/C24H27F2N5O5S/c1-37(33,34)30-8-4-18(5-9-30)31-22-15(14-27-24(29-22)28-17-6-10-35-11-7-17)12-21(23(31)32)36-20-3-2-16(25)13-19(20)26/h2-3,12-14,17-18H,4-11H2,1H3,(H,27,28,29)
InChIKeyASOVUAMIHHQHJF-UHFFFAOYSA-N
XLogP3.05
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.57
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

R-1487
CID 11406590
Pamapimod
CID 16220188
6-(2,4-Difluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one hydrochloride
CID 54580957
8-Methyl-6-Phenoxy-2-(Tetrahydro-2h-Pyran-4-Ylamino)pyrido[2,3-D]pyrimidin-7(8h)-One
CID 23434577
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-(3-hydroxy-propyl)-2-(tetrahydro-pyran-4-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 11259005
6-(2,4-Difluorophenoxy)-2-(2-hydroxy-1,1-dimethyl-ethylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 20626846

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 52937243) is 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)N1CCC(n2c(=O)c(Oc3ccc(F)cc3F)cc3cnc(NC4CCOCC4)nc32)CC1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ASOVUAMIHHQHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O5S/c1-37(33,34)30-8-4-18(5-9-30)31-22-15(14-27-24(29-22)28-17-6-10-35-11-7-17)12-21(23(31)32)36-20-3-2-16(25)13-19(20)26/h2-3,12-14,17-18H,4-11H2,1H3,(H,27,28,29).
What are the key properties of 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 535.57 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-8-(1-methylsulfonylpiperidin-4-yl)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 52937243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).