2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C25H24F4N8O2 — CID 126504895

About 2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126504895) has the molecular formula C25H24F4N8O2 and a molecular weight of 544.51 g/mol. Its IUPAC name is 2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 126504895
• Molecular Formula: C25H24F4N8O2
• Molecular Weight: 544.51 g/mol
• Exact Mass: 544.20
• IUPAC Name: 2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: CC(N)Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1
• InChI: InChI=1S/C25H24F4N8O2/c1-14(30)12-37-13-18(11-33-37)34-23-31-9-17(10-32-23)15-2-3-16(19(26)6-15)7-22(38)35-21-8-20(39-36-21)24(4-5-24)25(27,28)29/h2-3,6,8-11,13-14H,4-5,7,12,30H2,1H3,(H,31,32,34)(H,35,36,38)
• InChIKey: CKEPLWWBBWIBLU-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 136.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.51
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126504895) is 2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

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

The canonical SMILES for 2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CC(N)Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.

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

The InChIKey is CKEPLWWBBWIBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N8O2/c1-14(30)12-37-13-18(11-33-37)34-23-31-9-17(10-32-23)15-2-3-16(19(26)6-15)7-22(38)35-21-8-20(39-36-21)24(4-5-24)25(27,28)29/h2-3,6,8-11,13-14H,4-5,7,12,30H2,1H3,(H,31,32,34)(H,35,36,38).

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

2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 544.51 g/mol, XLogP of 4.33, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[1-(2-aminopropyl)pyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126504895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).