8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C21H16F3N3O2 — CID 68676905

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)CC2
InChIInChI=1S/C21H16F3N3O2/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(28)27(20(14)26-21(25-18)29-2)19-15(23)4-3-5-16(19)24/h3-7,10H,8-9H2,1-2H3
InChIKeyFKRHIXXZPGPMEI-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.49
Rot. Bonds3

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 68676905) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID68676905
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)CC2
InChIInChI=1S/C21H16F3N3O2/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(28)27(20(14)26-21(25-18)29-2)19-15(23)4-3-5-16(19)24/h3-7,10H,8-9H2,1-2H3
InChIKeyFKRHIXXZPGPMEI-UHFFFAOYSA-N
XLogP4.49
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-7H-pyrido[2,3-d]pyrimidine
CID 141065203
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]-8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 21114374
2-(cyclohexylamino)-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 68679725
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 10114328
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methylsulfanyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one;2-methylsulfanyl-4,8-diphenyl-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 158117669
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639647
N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
CID 59639614
N-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156295
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639607
8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 21114446
4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-5,6-dihydropyrimido[4,5-d]pyrimidin-7-one
CID 69363982
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639543

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 68676905) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1nc(-c2ccc(F)cc2C)c2c(n1)N(c1c(F)cccc1F)C(=O)CC2.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FKRHIXXZPGPMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(28)27(20(14)26-21(25-18)29-2)19-15(23)4-3-5-16(19)24/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 399.37 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-methoxy-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 68676905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).