5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

C21H24F3N7O3 — CID 163292128

About 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292128) has the molecular formula C21H24F3N7O3 and a molecular weight of 479.46 g/mol. Its IUPAC name is 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 163292128
• Molecular Formula: C21H24F3N7O3
• Molecular Weight: 479.46 g/mol
• Exact Mass: 479.19
• IUPAC Name: 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)cn2)c(C(N)=O)c1N
• InChI: InChI=1S/C21H24F3N7O3/c1-10(2)31-18(25)16(19(26)33)17(29-31)12-6-5-11(9-27-12)7-15(32)28-14-8-13(34-30-14)20(3,4)21(22,23)24/h5-6,8-10H,7,25H2,1-4H3,(H2,26,33)(H,28,30,32)
• InChIKey: RNUWFTAXSZZYJX-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 154.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.46
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292128) is 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)cn2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is RNUWFTAXSZZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7O3/c1-10(2)31-18(25)16(19(26)33)17(29-31)12-6-5-11(9-27-12)7-15(32)28-14-8-13(34-30-14)20(3,4)21(22,23)24/h5-6,8-10H,7,25H2,1-4H3,(H2,26,33)(H,28,30,32).

What are the key properties of 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[5-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]-2-pyridinyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).