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

C24H23N7O4 — CID 166100272

About 2-[1-(2-cyanophenyl)-1-(3,5-dimethyl-1H-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-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100272) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2-[1-(2-cyanophenyl)-1-(3,5-dimethyl-1H-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-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 166100272
• Molecular Formula: C24H23N7O4
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.18
• IUPAC Name: 2-[1-(2-cyanophenyl)-1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: Cc1n[nH]c(C)c1C(c1ccccc1C#N)C(C)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C
• InChI: InChI=1S/C24H23N7O4/c1-12(18(19-13(2)29-30-14(19)3)17-8-6-5-7-15(17)9-25)22-28-20(21(32)24(34)31(22)4)23(33)27-16-10-26-35-11-16/h5-8,10-12,18,32H,1-4H3,(H,27,33)(H,29,30)
• InChIKey: FIKLVGIFPFURQI-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 162.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyanophenyl)-1-(3,5-dimethyl-1H-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-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100272) is 2-[1-(2-cyanophenyl)-1-(3,5-dimethyl-1H-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-(3,5-dimethyl-1H-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-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1n[nH]c(C)c1C(c1ccccc1C#N)C(C)c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C.

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

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

What are the key properties of 2-[1-(2-cyanophenyl)-1-(3,5-dimethyl-1H-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-(3,5-dimethyl-1H-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 473.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-cyanophenyl)-1-(3,5-dimethyl-1H-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 166100272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).