N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide

C25H20FN7O4 — CID 153137165

About N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide (PubChem CID 153137165) has the molecular formula C25H20FN7O4 and a molecular weight of 501.48 g/mol. Its IUPAC name is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide
• PubChem CID: 153137165
• Molecular Formula: C25H20FN7O4
• Molecular Weight: 501.48 g/mol
• Exact Mass: 501.16
• IUPAC Name: N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide
• SMILES: CC1=CN(CC(=O)Nc2ccnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)n2)C(=O)CC1=O
• InChI: InChI=1S/C25H20FN7O4/c1-15-12-32(24(36)11-21(15)34)14-23(35)28-22-6-8-27-25(29-22)19-10-20(18-7-9-37-31-18)33(30-19)13-16-4-2-3-5-17(16)26/h2-10,12H,11,13-14H2,1H3,(H,27,28,29,35)
• InChIKey: VXXDIAOQUHSOTR-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 136.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.48
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide?

The IUPAC name of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide (CID 153137165) is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide.

What is the SMILES notation for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide?

The canonical SMILES for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide is CC1=CN(CC(=O)Nc2ccnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)n2)C(=O)CC1=O.

What is the InChIKey of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide?

The InChIKey is VXXDIAOQUHSOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O4/c1-15-12-32(24(36)11-21(15)34)14-23(35)28-22-6-8-27-25(29-22)19-10-20(18-7-9-37-31-18)33(30-19)13-16-4-2-3-5-17(16)26/h2-10,12H,11,13-14H2,1H3,(H,27,28,29,35).

What are the key properties of N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide?

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide has a molecular weight of 501.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxo-1-pyridinyl)acetamide is sourced from PubChem (CID 153137165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).