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

C25H23F4N7O2 — CID 126504812

IUPAC2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCC(C)n1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1
InChIInChI=1S/C25H23F4N7O2/c1-14(2)36-13-18(12-32-36)33-23-30-10-17(11-31-23)15-3-4-16(19(26)7-15)8-22(37)34-21-9-20(38-35-21)24(5-6-24)25(27,28)29/h3-4,7,9-14H,5-6,8H2,1-2H3,(H,30,31,33)(H,34,35,37)
InChIKeyDCVHXNQNQHDCLP-UHFFFAOYSA-N
MW529.50 g/mol
LogP5.57
Rot. Bonds8

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

2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 126504812) has the molecular formula C25H23F4N7O2 and a molecular weight of 529.50 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-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-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID126504812
Molecular FormulaC25H23F4N7O2
Molecular Weight529.50 g/mol
Exact Mass529.18
IUPAC Name2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCC(C)n1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1
InChIInChI=1S/C25H23F4N7O2/c1-14(2)36-13-18(12-32-36)33-23-30-10-17(11-31-23)15-3-4-16(19(26)7-15)8-22(37)34-21-9-20(38-35-21)24(5-6-24)25(27,28)29/h3-4,7,9-14H,5-6,8H2,1-2H3,(H,30,31,33)(H,34,35,37)
InChIKeyDCVHXNQNQHDCLP-UHFFFAOYSA-N
XLogP5.57
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.50
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-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-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 126504812) is 2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-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-[(1-propan-2-ylpyrazol-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-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is CC(C)n1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cn2)cn1.
What is the InChIKey of 2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is DCVHXNQNQHDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N7O2/c1-14(2)36-13-18(12-32-36)33-23-30-10-17(11-31-23)15-3-4-16(19(26)7-15)8-22(37)34-21-9-20(38-35-21)24(5-6-24)25(27,28)29/h3-4,7,9-14H,5-6,8H2,1-2H3,(H,30,31,33)(H,34,35,37).
What are the key properties of 2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[2-fluoro-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 529.50 g/mol, XLogP of 5.57, 8 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-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 126504812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).