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

C24H20F3N7O4 — CID 170944355

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

2-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944355) has the molecular formula C24H20F3N7O4 and a molecular weight of 527.46 g/mol. Its IUPAC name is 2-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)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-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944355
• Molecular Formula: C24H20F3N7O4
• Molecular Weight: 527.46 g/mol
• Exact Mass: 527.15
• IUPAC Name: 2-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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](c1cnn(CC(F)(F)F)c1)c1ccccc1C#N
• InChI: InChI=1S/C24H20F3N7O4/c1-13(21-32-19(20(35)23(37)33(21)2)22(36)31-16-9-30-38-11-16)18(17-6-4-3-5-14(17)7-28)15-8-29-34(10-15)12-24(25,26)27/h3-6,8-11,13,18,35H,12H2,1-2H3,(H,31,36)/t13-,18+/m0/s1
• InChIKey: RZCJKOZRBYHPLS-SCLBCKFNSA-N
• XLogP: 3.29
• TPSA: 151.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• 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-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)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-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944355) is 2-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)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-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)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-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]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](c1cnn(CC(F)(F)F)c1)c1ccccc1C#N.

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

The InChIKey is RZCJKOZRBYHPLS-SCLBCKFNSA-N. The full InChI is InChI=1S/C24H20F3N7O4/c1-13(21-32-19(20(35)23(37)33(21)2)22(36)31-16-9-30-38-11-16)18(17-6-4-3-5-14(17)7-28)15-8-29-34(10-15)12-24(25,26)27/h3-6,8-11,13,18,35H,12H2,1-2H3,(H,31,36)/t13-,18+/m0/s1.

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

2-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)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, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,2S)-1-(2-cyanophenyl)-1-[1-(2,2,2-trifluoroethyl)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 170944355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).