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

C25H22FN7O4 — CID 166100073

About 2-[1-(2-cyano-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-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-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100073) has the molecular formula C25H22FN7O4 and a molecular weight of 503.49 g/mol. Its IUPAC name is 2-[1-(2-cyano-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-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-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 166100073
• Molecular Formula: C25H22FN7O4
• Molecular Weight: 503.49 g/mol
• Exact Mass: 503.17
• IUPAC Name: 2-[1-(2-cyano-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: Cc1ncc(C(c2cc(F)ccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)nc1C
• InChI: InChI=1S/C25H22FN7O4/c1-12(23-32-21(22(34)25(36)33(23)4)24(35)31-17-9-29-37-11-17)20(19-10-28-13(2)14(3)30-19)18-7-16(26)6-5-15(18)8-27/h5-7,9-12,20,34H,1-4H3,(H,31,35)
• InChIKey: OXYSJECNPKBDAK-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 159.82 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	503.49
LogP ≤ 5	3.08
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-(5,6-dimethylpyrazin-2-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-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100073) is 2-[1-(2-cyano-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-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-(5,6-dimethylpyrazin-2-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-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1ncc(C(c2cc(F)ccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)nc1C.

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

The InChIKey is OXYSJECNPKBDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O4/c1-12(23-32-21(22(34)25(36)33(23)4)24(35)31-17-9-29-37-11-17)20(19-10-28-13(2)14(3)30-19)18-7-16(26)6-5-15(18)8-27/h5-7,9-12,20,34H,1-4H3,(H,31,35).

What are the key properties of 2-[1-(2-cyano-5-fluorophenyl)-1-(5,6-dimethylpyrazin-2-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-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 503.49 g/mol, XLogP of 3.08, 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-(5,6-dimethylpyrazin-2-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).