8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one

C25H18F3N5O2 — CID 59639606

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 59639606) has the molecular formula C25H18F3N5O2 and a molecular weight of 477.45 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 59639606
• Molecular Formula: C25H18F3N5O2
• Molecular Weight: 477.45 g/mol
• Exact Mass: 477.14
• IUPAC Name: 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(CNc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)on1
• InChI: InChI=1S/C25H18F3N5O2/c1-13-10-15(26)6-7-17(13)22-18-8-9-21(34)33(23-19(27)4-3-5-20(23)28)24(18)31-25(30-22)29-12-16-11-14(2)32-35-16/h3-11H,12H2,1-2H3,(H,29,30,31)
• InChIKey: IDWCQBLGDBWHHD-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.45
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one (CID 59639606) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(CNc2nc(-c3ccc(F)cc3C)c3ccc(=O)n(-c4c(F)cccc4F)c3n2)on1.

What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IDWCQBLGDBWHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2/c1-13-10-15(26)6-7-17(13)22-18-8-9-21(34)33(23-19(27)4-3-5-20(23)28)24(18)31-25(30-22)29-12-16-11-14(2)32-35-16/h3-11H,12H2,1-2H3,(H,29,30,31).

What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one?

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 477.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 59639606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).