2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C27H27F3N6O3 — CID 158196628

About 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 158196628) has the molecular formula C27H27F3N6O3 and a molecular weight of 540.55 g/mol. Its IUPAC name is 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 158196628
• Molecular Formula: C27H27F3N6O3
• Molecular Weight: 540.55 g/mol
• Exact Mass: 540.21
• IUPAC Name: 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: CCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)cc3)cn2)c(OC)n1
• InChI: InChI=1S/C27H27F3N6O3/c1-3-10-36-16-19(25(34-36)38-2)12-22-31-14-20(15-32-22)18-6-4-17(5-7-18)11-24(37)33-23-13-21(39-35-23)26(8-9-26)27(28,29)30/h4-7,13-16H,3,8-12H2,1-2H3,(H,33,35,37)
• InChIKey: KWBNMCUWQKMOOR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.55
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 158196628) is 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

What is the SMILES notation for 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The canonical SMILES for 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CCCn1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)cc3)cn2)c(OC)n1.

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

The InChIKey is KWBNMCUWQKMOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O3/c1-3-10-36-16-19(25(34-36)38-2)12-22-31-14-20(15-32-22)18-6-4-17(5-7-18)11-24(37)33-23-13-21(39-35-23)26(8-9-26)27(28,29)30/h4-7,13-16H,3,8-12H2,1-2H3,(H,33,35,37).

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

2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 540.55 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(3-methoxy-1-propylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 158196628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).