2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C25H24N8O4 — CID 166100021

About 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100021) has the molecular formula C25H24N8O4 and a molecular weight of 500.52 g/mol. Its IUPAC name is 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 166100021
• Molecular Formula: C25H24N8O4
• Molecular Weight: 500.52 g/mol
• Exact Mass: 500.19
• IUPAC Name: 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: CC(c1nc(C(=O)NC2(C)C=NOC2)c(O)c(=O)n1C)C(c1cnn(C)c1)c1c(C#N)cccc1C#N
• InChI: InChI=1S/C25H24N8O4/c1-14(18(17-10-28-32(3)11-17)19-15(8-26)6-5-7-16(19)9-27)22-30-20(21(34)24(36)33(22)4)23(35)31-25(2)12-29-37-13-25/h5-7,10-12,14,18,34H,13H2,1-4H3,(H,31,35)
• InChIKey: YIFHVBWJBZKPGY-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 171.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100021) is 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CC(c1nc(C(=O)NC2(C)C=NOC2)c(O)c(=O)n1C)C(c1cnn(C)c1)c1c(C#N)cccc1C#N.

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

The InChIKey is YIFHVBWJBZKPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O4/c1-14(18(17-10-28-32(3)11-17)19-15(8-26)6-5-7-16(19)9-27)22-30-20(21(34)24(36)33(22)4)23(35)31-25(2)12-29-37-13-25/h5-7,10-12,14,18,34H,13H2,1-4H3,(H,31,35).

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

2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 500.52 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,6-dicyanophenyl)-1-(1-methylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(4-methyl-5H-1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).