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

C28H28F4N6O3 — CID 157273074

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

2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 157273074) has the molecular formula C28H28F4N6O3 and a molecular weight of 572.56 g/mol. Its IUPAC name is 2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-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-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 157273074
• Molecular Formula: C28H28F4N6O3
• Molecular Weight: 572.56 g/mol
• Exact Mass: 572.22
• IUPAC Name: 2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: CCc1nn(CCOC)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
• InChI: InChI=1S/C28H28F4N6O3/c1-3-22-19(16-38(36-22)8-9-40-2)11-24-33-14-20(15-34-24)17-4-5-18(21(29)10-17)12-26(39)35-25-13-23(41-37-25)27(6-7-27)28(30,31)32/h4-5,10,13-16H,3,6-9,11-12H2,1-2H3,(H,35,37,39)
• InChIKey: SLFUGEAJYDXLBR-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.56
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-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-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 157273074) is 2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-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-[[3-ethyl-1-(2-methoxyethyl)pyrazol-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-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CCc1nn(CCOC)cc1Cc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1.

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

The InChIKey is SLFUGEAJYDXLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F4N6O3/c1-3-22-19(16-38(36-22)8-9-40-2)11-24-33-14-20(15-34-24)17-4-5-18(21(29)10-17)12-26(39)35-25-13-23(41-37-25)27(6-7-27)28(30,31)32/h4-5,10,13-16H,3,6-9,11-12H2,1-2H3,(H,35,37,39).

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

2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 572.56 g/mol, XLogP of 5.04, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[3-ethyl-1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 157273074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).