2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C25H24FN7O4 — CID 166100070

About 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100070) has the molecular formula C25H24FN7O4 and a molecular weight of 505.51 g/mol. Its IUPAC name is 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 166100070
• Molecular Formula: C25H24FN7O4
• Molecular Weight: 505.51 g/mol
• Exact Mass: 505.19
• IUPAC Name: 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: Cc1nn(C)c(C)c1C(c1cc(F)ccc1C#N)C(C)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C
• InChI: InChI=1S/C25H24FN7O4/c1-12(23-30-21(22(34)25(36)32(23)4)24(35)29-17-10-28-37-11-17)19(20-13(2)31-33(5)14(20)3)18-8-16(26)7-6-15(18)9-27/h6-8,10-12,19,34H,1-5H3,(H,29,35)
• InChIKey: SLWNYPUDUFAIMK-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 151.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.51
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100070) is 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1nn(C)c(C)c1C(c1cc(F)ccc1C#N)C(C)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C.

What is the InChIKey of 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The InChIKey is SLWNYPUDUFAIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O4/c1-12(23-30-21(22(34)25(36)32(23)4)24(35)29-17-10-28-37-11-17)19(20-13(2)31-33(5)14(20)3)18-8-16(26)7-6-15(18)9-27/h6-8,10-12,19,34H,1-5H3,(H,29,35).

What are the key properties of 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 505.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-cyano-5-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).