2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C25H20F6N6O3 — CID 159987105

About 2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 159987105) has the molecular formula C25H20F6N6O3 and a molecular weight of 566.46 g/mol. Its IUPAC name is 2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 159987105
• Molecular Formula: C25H20F6N6O3
• Molecular Weight: 566.46 g/mol
• Exact Mass: 566.15
• IUPAC Name: 2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: COc1nn(C(F)F)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
• InChI: InChI=1S/C25H20F6N6O3/c1-39-22-15(12-37(35-22)23(27)28)7-19-32-10-16(11-33-19)13-2-3-14(17(26)6-13)8-21(38)34-20-9-18(40-36-20)24(4-5-24)25(29,30)31/h2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,34,36,38)
• InChIKey: OGLYXYYBXZAMPA-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.46
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 159987105) is 2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]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-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The canonical SMILES for 2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is COc1nn(C(F)F)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.

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

The InChIKey is OGLYXYYBXZAMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N6O3/c1-39-22-15(12-37(35-22)23(27)28)7-19-32-10-16(11-33-19)13-2-3-14(17(26)6-13)8-21(38)34-20-9-18(40-36-20)24(4-5-24)25(29,30)31/h2-3,6,9-12,23H,4-5,7-8H2,1H3,(H,34,36,38).

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

2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 566.46 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[1-(difluoromethyl)-3-methoxypyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 159987105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).