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

C28H29F4N7O4 — CID 126505278

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

2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126505278) has the molecular formula C28H29F4N7O4 and a molecular weight of 603.58 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-5-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-[[1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 126505278
• Molecular Formula: C28H29F4N7O4
• Molecular Weight: 603.58 g/mol
• Exact Mass: 603.22
• IUPAC Name: 2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: COCCOCCn1ncc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C
• InChI: InChI=1S/C28H29F4N7O4/c1-17-22(16-35-39(17)7-8-42-10-9-41-2)36-26-33-14-20(15-34-26)18-3-4-19(21(29)11-18)12-25(40)37-24-13-23(43-38-24)27(5-6-27)28(30,31)32/h3-4,11,13-16H,5-10,12H2,1-2H3,(H,33,34,36)(H,37,38,40)
• InChIKey: BAUMHPLHPDOENT-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 129.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.58
LogP ≤ 5	4.96
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-[[1-[2-(2-methoxyethoxy)ethyl]-5-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-[[1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126505278) is 2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-5-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-[[1-[2-(2-methoxyethoxy)ethyl]-5-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-[[1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is COCCOCCn1ncc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)c1C.

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

The InChIKey is BAUMHPLHPDOENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N7O4/c1-17-22(16-35-39(17)7-8-42-10-9-41-2)36-26-33-14-20(15-34-26)18-3-4-19(21(29)11-18)12-25(40)37-24-13-23(43-38-24)27(5-6-27)28(30,31)32/h3-4,11,13-16H,5-10,12H2,1-2H3,(H,33,34,36)(H,37,38,40).

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

2-[2-fluoro-4-[2-[[1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 603.58 g/mol, XLogP of 4.96, 13 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-[[1-[2-(2-methoxyethoxy)ethyl]-5-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126505278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).