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

C23H19F4N7O3 — CID 126504874

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

2-[2-fluoro-4-[2-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126504874) has the molecular formula C23H19F4N7O3 and a molecular weight of 517.44 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(5-methoxy-1H-pyrazol-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-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• PubChem CID: 126504874
• Molecular Formula: C23H19F4N7O3
• Molecular Weight: 517.44 g/mol
• Exact Mass: 517.15
• IUPAC Name: 2-[2-fluoro-4-[2-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
• SMILES: COc1[nH]ncc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
• InChI: InChI=1S/C23H19F4N7O3/c1-36-20-16(11-30-33-20)31-21-28-9-14(10-29-21)12-2-3-13(15(24)6-12)7-19(35)32-18-8-17(37-34-18)22(4-5-22)23(25,26)27/h2-3,6,8-11H,4-5,7H2,1H3,(H,30,33)(H,28,29,31)(H,32,34,35)
• InChIKey: ZEQHPRFBOFWWMJ-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 130.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.44
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(5-methoxy-1H-pyrazol-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-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126504874) is 2-[2-fluoro-4-[2-[(5-methoxy-1H-pyrazol-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-[(5-methoxy-1H-pyrazol-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-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is COc1[nH]ncc1Nc1ncc(-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-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?

The InChIKey is ZEQHPRFBOFWWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N7O3/c1-36-20-16(11-30-33-20)31-21-28-9-14(10-29-21)12-2-3-13(15(24)6-12)7-19(35)32-18-8-17(37-34-18)22(4-5-22)23(25,26)27/h2-3,6,8-11H,4-5,7H2,1H3,(H,30,33)(H,28,29,31)(H,32,34,35).

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

2-[2-fluoro-4-[2-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 517.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-fluoro-4-[2-[(5-methoxy-1H-pyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126504874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).