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

C25H22F4N6O3 — CID 148534388

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

2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 148534388) has the molecular formula C25H22F4N6O3 and a molecular weight of 530.48 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]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-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 148534388
• Molecular Formula: C25H22F4N6O3
• Molecular Weight: 530.48 g/mol
• Exact Mass: 530.17
• IUPAC Name: 2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: COc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n(C)n1
• InChI: InChI=1S/C25H22F4N6O3/c1-35-17(10-23(33-35)37-2)9-20-30-12-16(13-31-20)14-3-4-15(18(26)7-14)8-22(36)32-21-11-19(38-34-21)24(5-6-24)25(27,28)29/h3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36)
• InChIKey: MQXFWTGVRPPZAW-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 107.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.48
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]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-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 148534388) is 2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]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-methoxy-1-methylpyrazol-5-yl)methyl]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-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is COc1cc(Cc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)n(C)n1.

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

The InChIKey is MQXFWTGVRPPZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O3/c1-35-17(10-23(33-35)37-2)9-20-30-12-16(13-31-20)14-3-4-15(18(26)7-14)8-22(36)32-21-11-19(38-34-21)24(5-6-24)25(27,28)29/h3-4,7,10-13H,5-6,8-9H2,1-2H3,(H,32,34,36).

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

2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 530.48 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-[2-[(3-methoxy-1-methylpyrazol-5-yl)methyl]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 148534388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).