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

C18H18F2N4O4S — CID 44517629

IUPAC6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
InChIInChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m0/s1
InChIKeyDVEYHFXOGUYFBU-JTQLQIEISA-N
MW424.43 g/mol
LogP2.24
Rot. Bonds6

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

6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 44517629) has the molecular formula C18H18F2N4O4S and a molecular weight of 424.43 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID44517629
Molecular FormulaC18H18F2N4O4S
Molecular Weight424.43 g/mol
Exact Mass424.10
IUPAC Name6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1
InChIInChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m0/s1
InChIKeyDVEYHFXOGUYFBU-JTQLQIEISA-N
XLogP2.24
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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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-{[(1r)-1-Methyl-2-(2h-Tetrazol-2-Yl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8h)-One
CID 44517632
6-(2,4-Difluorophenoxy)-8-Methyl-2-{[(1s)-1-Methyl-2-(2h-Tetrazol-2-Yl)ethyl]amino}pyrido[2,3-D]pyrimidin-7(8h)-One
CID 44517633
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-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 44517629) is 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one is C[C@@H](CS(C)(=O)=O)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DVEYHFXOGUYFBU-JTQLQIEISA-N. The full InChI is InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m0/s1.
What are the key properties of 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 424.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-8-methyl-2-[[(2S)-1-methylsulfonylpropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 44517629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).