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

C25H24FN7O4 — CID 166100057

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

2-[1-(2-cyano-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100057) has the molecular formula C25H24FN7O4 and a molecular weight of 505.51 g/mol. Its IUPAC name is 2-[1-(2-cyano-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-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-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 166100057
• Molecular Formula: C25H24FN7O4
• Molecular Weight: 505.51 g/mol
• Exact Mass: 505.19
• IUPAC Name: 2-[1-(2-cyano-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: CCn1cc(C(c2ccc(F)cc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c(C)n1
• InChI: InChI=1S/C25H24FN7O4/c1-5-33-11-19(14(3)31-33)20(18-7-6-16(26)8-15(18)9-27)13(2)23-30-21(22(34)25(36)32(23)4)24(35)29-17-10-28-37-12-17/h6-8,10-13,20,34H,5H2,1-4H3,(H,29,35)
• InChIKey: FYGRWSAEKKVYRE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 151.86 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	505.51
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyano-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-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-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100057) is 2-[1-(2-cyano-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-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-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-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-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CCn1cc(C(c2ccc(F)cc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c(C)n1.

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

The InChIKey is FYGRWSAEKKVYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O4/c1-5-33-11-19(14(3)31-33)20(18-7-6-16(26)8-15(18)9-27)13(2)23-30-21(22(34)25(36)32(23)4)24(35)29-17-10-28-37-12-17/h6-8,10-13,20,34H,5H2,1-4H3,(H,29,35).

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

2-[1-(2-cyano-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-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 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-cyano-4-fluorophenyl)-1-(1-ethyl-3-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).