8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one

C25H16F3N5O2 — CID 137143855

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 137143855) has the molecular formula C25H16F3N5O2 and a molecular weight of 475.43 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 137143855
• Molecular Formula: C25H16F3N5O2
• Molecular Weight: 475.43 g/mol
• Exact Mass: 475.13
• IUPAC Name: 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1cc(F)ccc1-c1nc(N=C2C=CNC(=O)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F
• InChI: InChI=1S/C25H16F3N5O2/c1-13-11-14(26)5-6-16(13)22-17-7-8-21(35)33(23-18(27)3-2-4-19(23)28)24(17)32-25(31-22)30-15-9-10-29-20(34)12-15/h2-11H,12H2,1H3,(H,29,34)
• InChIKey: UKZGILPOLRWSEB-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 89.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.43
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one (CID 137143855) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(N=C2C=CNC(=O)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F.

What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UKZGILPOLRWSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O2/c1-13-11-14(26)5-6-16(13)22-17-7-8-21(35)33(23-18(27)3-2-4-19(23)28)24(17)32-25(31-22)30-15-9-10-29-20(34)12-15/h2-11H,12H2,1H3,(H,29,34).

What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one?

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 475.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 137143855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).