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

C24H20N8O4 — CID 170944502

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

2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944502) has the molecular formula C24H20N8O4 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944502
• Molecular Formula: C24H20N8O4
• Molecular Weight: 484.48 g/mol
• Exact Mass: 484.16
• IUPAC Name: 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: C[C@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@H](c1ccccc1C#N)c1cn(C)nc1C#N
• InChI: InChI=1S/C24H20N8O4/c1-13(19(16-7-5-4-6-14(16)8-25)17-11-31(2)30-18(17)9-26)22-29-20(21(33)24(35)32(22)3)23(34)28-15-10-27-36-12-15/h4-7,10-13,19,33H,1-3H3,(H,28,34)/t13-,19+/m0/s1
• InChIKey: RFWVPDWYHCUSRV-ORAYPTAESA-N
• XLogP: 2.14
• TPSA: 175.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.48
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944502) is 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is C[C@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@H](c1ccccc1C#N)c1cn(C)nc1C#N.

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

The InChIKey is RFWVPDWYHCUSRV-ORAYPTAESA-N. The full InChI is InChI=1S/C24H20N8O4/c1-13(19(16-7-5-4-6-14(16)8-25)17-11-31(2)30-18(17)9-26)22-29-20(21(33)24(35)32(22)3)23(34)28-15-10-27-36-12-15/h4-7,10-13,19,33H,1-3H3,(H,28,34)/t13-,19+/m0/s1.

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

2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2S)-1-(3-cyano-1-methylpyrazol-4-yl)-1-(2-cyanophenyl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).