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

C26H25F4N7O4 — CID 126505561

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

2-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126505561) has the molecular formula C26H25F4N7O4 and a molecular weight of 575.52 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-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-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 126505561
• Molecular Formula: C26H25F4N7O4
• Molecular Weight: 575.52 g/mol
• Exact Mass: 575.19
• IUPAC Name: 2-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: COCCOc1nn(C)cc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
• InChI: InChI=1S/C26H25F4N7O4/c1-37-14-19(23(35-37)40-8-7-39-2)33-24-31-12-17(13-32-24)15-3-4-16(18(27)9-15)10-22(38)34-21-11-20(41-36-21)25(5-6-25)26(28,29)30/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,31,32,33)(H,34,36,38)
• InChIKey: GRLOKECSMMWFDJ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 129.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.52
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-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-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126505561) is 2-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-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-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-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-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is COCCOc1nn(C)cc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.

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

The InChIKey is GRLOKECSMMWFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N7O4/c1-37-14-19(23(35-37)40-8-7-39-2)33-24-31-12-17(13-32-24)15-3-4-16(18(27)9-15)10-22(38)34-21-11-20(41-36-21)25(5-6-25)26(28,29)30/h3-4,9,11-14H,5-8,10H2,1-2H3,(H,31,32,33)(H,34,36,38).

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

2-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-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 575.52 g/mol, XLogP of 4.55, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-[2-[[3-(2-methoxyethoxy)-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 126505561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).