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

C25H24FN7O4 — CID 170944496

About 2-[(1S,2S)-1-(2-cyanophenyl)-1-(3-fluoro-1-propan-2-ylpyrazol-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-(3-fluoro-1-propan-2-ylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944496) has the molecular formula C25H24FN7O4 and a molecular weight of 505.51 g/mol. Its IUPAC name is 2-[(1S,2S)-1-(2-cyanophenyl)-1-(3-fluoro-1-propan-2-ylpyrazol-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-(3-fluoro-1-propan-2-ylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944496
• Molecular Formula: C25H24FN7O4
• Molecular Weight: 505.51 g/mol
• Exact Mass: 505.19
• IUPAC Name: 2-[(1S,2S)-1-(2-cyanophenyl)-1-(3-fluoro-1-propan-2-ylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: CC(C)n1cc([C@H](c2ccccc2C#N)[C@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c(F)n1
• InChI: InChI=1S/C25H24FN7O4/c1-13(2)33-11-18(22(26)31-33)19(17-8-6-5-7-15(17)9-27)14(3)23-30-20(21(34)25(36)32(23)4)24(35)29-16-10-28-37-12-16/h5-8,10-14,19,34H,1-4H3,(H,29,35)/t14-,19-/m0/s1
• InChIKey: DSVPROIMEKVXMS-LIRRHRJNSA-N
• XLogP: 3.45
• TPSA: 151.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.51
LogP ≤ 5	3.45
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-(3-fluoro-1-propan-2-ylpyrazol-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-(3-fluoro-1-propan-2-ylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944496) is 2-[(1S,2S)-1-(2-cyanophenyl)-1-(3-fluoro-1-propan-2-ylpyrazol-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-(3-fluoro-1-propan-2-ylpyrazol-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-(3-fluoro-1-propan-2-ylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CC(C)n1cc([C@H](c2ccccc2C#N)[C@H](C)c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)c(F)n1.

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

The InChIKey is DSVPROIMEKVXMS-LIRRHRJNSA-N. The full InChI is InChI=1S/C25H24FN7O4/c1-13(2)33-11-18(22(26)31-33)19(17-8-6-5-7-15(17)9-27)14(3)23-30-20(21(34)25(36)32(23)4)24(35)29-16-10-28-37-12-16/h5-8,10-14,19,34H,1-4H3,(H,29,35)/t14-,19-/m0/s1.

What are the key properties of 2-[(1S,2S)-1-(2-cyanophenyl)-1-(3-fluoro-1-propan-2-ylpyrazol-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-(3-fluoro-1-propan-2-ylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 505.51 g/mol, XLogP of 3.45, 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-(3-fluoro-1-propan-2-ylpyrazol-4-yl)propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).