2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C24H20F3N7O4 — CID 166100078

About 2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100078) has the molecular formula C24H20F3N7O4 and a molecular weight of 527.46 g/mol. Its IUPAC name is 2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-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-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 166100078
• Molecular Formula: C24H20F3N7O4
• Molecular Weight: 527.46 g/mol
• Exact Mass: 527.15
• IUPAC Name: 2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: CC(c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)C(c1ccccc1C#N)c1cn(C)nc1C(F)(F)F
• InChI: InChI=1S/C24H20F3N7O4/c1-12(21-31-18(19(35)23(37)34(21)3)22(36)30-14-9-29-38-11-14)17(15-7-5-4-6-13(15)8-28)16-10-33(2)32-20(16)24(25,26)27/h4-7,9-12,17,35H,1-3H3,(H,30,36)
• InChIKey: IBJMFGFHLRLZAF-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 151.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.46
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-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-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100078) is 2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-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-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-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-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CC(c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)C(c1ccccc1C#N)c1cn(C)nc1C(F)(F)F.

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

The InChIKey is IBJMFGFHLRLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O4/c1-12(21-31-18(19(35)23(37)34(21)3)22(36)30-14-9-29-38-11-14)17(15-7-5-4-6-13(15)8-28)16-10-33(2)32-20(16)24(25,26)27/h4-7,9-12,17,35H,1-3H3,(H,30,36).

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

2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 527.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-cyanophenyl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).