2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

C19H24F4N6O2 — CID 165385529

IUPAC2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCC(C)n1cc(Nc2ncc(F)c(OCC3CCC(NC(=O)C(F)(F)F)CC3)n2)cn1
InChIInChI=1S/C19H24F4N6O2/c1-11(2)29-9-14(7-25-29)27-18-24-8-15(20)16(28-18)31-10-12-3-5-13(6-4-12)26-17(30)19(21,22)23/h7-9,11-13H,3-6,10H2,1-2H3,(H,26,30)(H,24,27,28)
InChIKeyZMNZMUBUJVOACQ-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.75
Rot. Bonds7

About 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (PubChem CID 165385529) has the molecular formula C19H24F4N6O2 and a molecular weight of 444.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
PubChem CID165385529
Molecular FormulaC19H24F4N6O2
Molecular Weight444.43 g/mol
Exact Mass444.19
IUPAC Name2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCC(C)n1cc(Nc2ncc(F)c(OCC3CCC(NC(=O)C(F)(F)F)CC3)n2)cn1
InChIInChI=1S/C19H24F4N6O2/c1-11(2)29-9-14(7-25-29)27-18-24-8-15(20)16(28-18)31-10-12-3-5-13(6-4-12)26-17(30)19(21,22)23/h7-9,11-13H,3-6,10H2,1-2H3,(H,26,30)(H,24,27,28)
InChIKeyZMNZMUBUJVOACQ-UHFFFAOYSA-N
XLogP3.75
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide with MolForge

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Related Compounds

US11578061, Example 43
CID 165385516
US11578061, Example 194
CID 165385531
US11578061, Example 186
CID 165385537
US11578061, Example 198
CID 165385538
US11578061, Example 207
CID 165385547
US11578061, Example 218
CID 165385553
US11578061, Example 196
CID 165385557
US11578061, Example 197
CID 165385585
US11578061, Example 184
CID 165385587
US11578061, Example 100
CID 165385591
US11578061, Example 202
CID 165385592
US11578061, Example 255
CID 165385595

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (CID 165385529) is 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is CC(C)n1cc(Nc2ncc(F)c(OCC3CCC(NC(=O)C(F)(F)F)CC3)n2)cn1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The InChIKey is ZMNZMUBUJVOACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N6O2/c1-11(2)29-9-14(7-25-29)27-18-24-8-15(20)16(28-18)31-10-12-3-5-13(6-4-12)26-17(30)19(21,22)23/h7-9,11-13H,3-6,10H2,1-2H3,(H,26,30)(H,24,27,28).
What are the key properties of 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide has a molecular weight of 444.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is sourced from PubChem (CID 165385529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).