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

C24H23N7O4 — CID 166100283

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

2-[1-(2-cyanophenyl)-1-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100283) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2-[1-(2-cyanophenyl)-1-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 166100283
• Molecular Formula: C24H23N7O4
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.18
• IUPAC Name: 2-[1-(2-cyanophenyl)-1-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: Cc1cc(C(c2ccccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)n(C)n1
• InChI: InChI=1S/C24H23N7O4/c1-13-9-18(31(4)29-13)19(17-8-6-5-7-15(17)10-25)14(2)22-28-20(21(32)24(34)30(22)3)23(33)27-16-11-26-35-12-16/h5-9,11-12,14,19,32H,1-4H3,(H,27,33)
• InChIKey: KBJGOWYZYVHJNV-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 151.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanophenyl)-1-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100283) is 2-[1-(2-cyanophenyl)-1-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-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-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1cc(C(c2ccccc2C#N)C(C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)n(C)n1.

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

The InChIKey is KBJGOWYZYVHJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4/c1-13-9-18(31(4)29-13)19(17-8-6-5-7-15(17)10-25)14(2)22-28-20(21(32)24(34)30(22)3)23(33)27-16-11-26-35-12-16/h5-9,11-12,14,19,32H,1-4H3,(H,27,33).

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

2-[1-(2-cyanophenyl)-1-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 2.58, 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-(2,5-dimethylpyrazol-3-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).