8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C21H15F3N4O — CID 59639647

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C21H15F3N4O/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(29)28(20(14)27-21(25-2)26-18)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H,25,26,27)
InChIKeyYSSJGWMWSDGWCK-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.22
Rot. Bonds3

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639647) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID59639647
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C21H15F3N4O/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(29)28(20(14)27-21(25-2)26-18)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H,25,26,27)
InChIKeyYSSJGWMWSDGWCK-UHFFFAOYSA-N
XLogP4.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639543
N-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156295
2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]acetic acid
CID 59639631
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639607
1-[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]-3-methylurea
CID 59639510
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639568
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 69312774
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 59639586
[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium
CID 148766190
8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639582
N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
CID 59639614
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 58105274

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 59639647) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1nc(-c2ccc(F)cc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YSSJGWMWSDGWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c1-11-10-12(22)6-7-13(11)18-14-8-9-17(29)28(20(14)27-21(25-2)26-18)19-15(23)4-3-5-16(19)24/h3-10H,1-2H3,(H,25,26,27).
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 396.37 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).