[4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone

C23H24F4N6O — CID 147474465

About [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone

[4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone (PubChem CID 147474465) has the molecular formula C23H24F4N6O and a molecular weight of 476.48 g/mol. Its IUPAC name is [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
• PubChem CID: 147474465
• Molecular Formula: C23H24F4N6O
• Molecular Weight: 476.48 g/mol
• Exact Mass: 476.19
• IUPAC Name: [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
• SMILES: Cc1cc(F)cc(-n2nccn2)c1C(=O)N1CCC[C@@H](C)[C@H]1CCc1ncc(C(F)(F)F)cn1
• InChI: InChI=1S/C23H24F4N6O/c1-14-4-3-9-32(18(14)5-6-20-28-12-16(13-29-20)23(25,26)27)22(34)21-15(2)10-17(24)11-19(21)33-30-7-8-31-33/h7-8,10-14,18H,3-6,9H2,1-2H3/t14-,18-/m1/s1
• InChIKey: FCKLNMQRDNGGHM-RDTXWAMCSA-N
• XLogP: 4.40
• TPSA: 76.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.48
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone?

The IUPAC name of [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone (CID 147474465) is [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone.

What is the SMILES notation for [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone?

The canonical SMILES for [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone is Cc1cc(F)cc(-n2nccn2)c1C(=O)N1CCC[C@@H](C)[C@H]1CCc1ncc(C(F)(F)F)cn1.

What is the InChIKey of [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone?

The InChIKey is FCKLNMQRDNGGHM-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H24F4N6O/c1-14-4-3-9-32(18(14)5-6-20-28-12-16(13-29-20)23(25,26)27)22(34)21-15(2)10-17(24)11-19(21)33-30-7-8-31-33/h7-8,10-14,18H,3-6,9H2,1-2H3/t14-,18-/m1/s1.

What are the key properties of [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone?

[4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone has a molecular weight of 476.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-fluoro-2-methyl-6-(triazol-2-yl)phenyl]-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 147474465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).