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

C23H19F4N7O2 — CID 126504881

IUPAC2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCn1nccc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
InChIInChI=1S/C23H19F4N7O2/c1-34-19(4-7-30-34)32-21-28-11-15(12-29-21)13-2-3-14(16(24)8-13)9-20(35)31-18-10-17(36-33-18)22(5-6-22)23(25,26)27/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,28,29,32)(H,31,33,35)
InChIKeyARYQTQLZNNUBBX-UHFFFAOYSA-N
MW501.44 g/mol
LogP4.52
Rot. Bonds7

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

2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126504881) has the molecular formula C23H19F4N7O2 and a molecular weight of 501.44 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID126504881
Molecular FormulaC23H19F4N7O2
Molecular Weight501.44 g/mol
Exact Mass501.15
IUPAC Name2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCn1nccc1Nc1ncc(-c2ccc(CC(=O)Nc3cc(C4(C(F)(F)F)CC4)on3)c(F)c2)cn1
InChIInChI=1S/C23H19F4N7O2/c1-34-19(4-7-30-34)32-21-28-11-15(12-29-21)13-2-3-14(16(24)8-13)9-20(35)31-18-10-17(36-33-18)22(5-6-22)23(25,26)27/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,28,29,32)(H,31,33,35)
InChIKeyARYQTQLZNNUBBX-UHFFFAOYSA-N
XLogP4.52
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126504881) is 2-[2-fluoro-4-[2-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is Cn1nccc1Nc1ncc(-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-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is ARYQTQLZNNUBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N7O2/c1-34-19(4-7-30-34)32-21-28-11-15(12-29-21)13-2-3-14(16(24)8-13)9-20(35)31-18-10-17(36-33-18)22(5-6-22)23(25,26)27/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,28,29,32)(H,31,33,35).
What are the key properties of 2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 501.44 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126504881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).