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

C24H19F6N7O2 — CID 126504866

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

2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126504866) has the molecular formula C24H19F6N7O2 and a molecular weight of 551.45 g/mol. Its IUPAC name is 2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-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-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 126504866
• Molecular Formula: C24H19F6N7O2
• Molecular Weight: 551.45 g/mol
• Exact Mass: 551.15
• IUPAC Name: 2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C(F)F)n1
• InChI: InChI=1S/C24H19F6N7O2/c1-37-11-16(20(35-37)21(26)27)33-22-31-9-14(10-32-22)12-2-3-13(15(25)6-12)7-19(38)34-18-8-17(39-36-18)23(4-5-23)24(28,29)30/h2-3,6,8-11,21H,4-5,7H2,1H3,(H,31,32,33)(H,34,36,38)
• InChIKey: HFRWIQDTSAHTSC-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 110.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.45
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-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-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126504866) is 2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-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-[[3-(difluoromethyl)-1-methylpyrazol-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-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c(C(F)F)n1.

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

The InChIKey is HFRWIQDTSAHTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N7O2/c1-37-11-16(20(35-37)21(26)27)33-22-31-9-14(10-32-22)12-2-3-13(15(25)6-12)7-19(38)34-18-8-17(39-36-18)23(4-5-23)24(28,29)30/h2-3,6,8-11,21H,4-5,7H2,1H3,(H,31,32,33)(H,34,36,38).

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

2-[4-[2-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 551.45 g/mol, XLogP of 5.46, 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-(difluoromethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126504866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).