2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C25H24F3N7O2 — CID 126505332

About 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126505332) has the molecular formula C25H24F3N7O2 and a molecular weight of 511.51 g/mol. Its IUPAC name is 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 126505332
• Molecular Formula: C25H24F3N7O2
• Molecular Weight: 511.51 g/mol
• Exact Mass: 511.19
• IUPAC Name: 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: CCc1nn(C)cc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)cc2)cn1
• InChI: InChI=1S/C25H24F3N7O2/c1-3-18-19(14-35(2)33-18)31-23-29-12-17(13-30-23)16-6-4-15(5-7-16)10-22(36)32-21-11-20(37-34-21)24(8-9-24)25(26,27)28/h4-7,11-14H,3,8-10H2,1-2H3,(H,29,30,31)(H,32,34,36)
• InChIKey: PSSULUKILGZFNU-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 110.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.51
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The IUPAC name of 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126505332) is 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

What is the SMILES notation for 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The canonical SMILES for 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CCc1nn(C)cc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)cc2)cn1.

What is the InChIKey of 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The InChIKey is PSSULUKILGZFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O2/c1-3-18-19(14-35(2)33-18)31-23-29-12-17(13-30-23)16-6-4-15(5-7-16)10-22(36)32-21-11-20(37-34-21)24(8-9-24)25(26,27)28/h4-7,11-14H,3,8-10H2,1-2H3,(H,29,30,31)(H,32,34,36).

What are the key properties of 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 511.51 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126505332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).