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

C24H19FN8O4 — CID 90446206

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

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 90446206) has the molecular formula C24H19FN8O4 and a molecular weight of 502.47 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-dioxopyrimidin-1-yl)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-dioxopyrimidin-1-yl)acetamide
• PubChem CID: 90446206
• Molecular Formula: C24H19FN8O4
• Molecular Weight: 502.47 g/mol
• Exact Mass: 502.15
• 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-dioxopyrimidin-1-yl)acetamide
• SMILES: Cc1cn(CC(=O)Nc2ccnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)n2)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H19FN8O4/c1-14-11-32(24(36)29-23(14)35)13-21(34)27-20-6-8-26-22(28-20)18-10-19(17-7-9-37-31-17)33(30-18)12-15-4-2-3-5-16(15)25/h2-11H,12-13H2,1H3,(H,29,35,36)(H,26,27,28,34)
• InChIKey: MJULELWZUPFJFM-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 153.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.47
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-dioxopyrimidin-1-yl)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-dioxopyrimidin-1-yl)acetamide (CID 90446206) is N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)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-dioxopyrimidin-1-yl)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-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)Nc2ccnc(-c3cc(-c4ccon4)n(Cc4ccccc4F)n3)n2)c(=O)[nH]c1=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-dioxopyrimidin-1-yl)acetamide?

The InChIKey is MJULELWZUPFJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN8O4/c1-14-11-32(24(36)29-23(14)35)13-21(34)27-20-6-8-26-22(28-20)18-10-19(17-7-9-37-31-17)33(30-18)12-15-4-2-3-5-16(15)25/h2-11H,12-13H2,1H3,(H,29,35,36)(H,26,27,28,34).

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-dioxopyrimidin-1-yl)acetamide?

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 502.47 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 90446206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).