[(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C25H26F3N5O2 — CID 173382236

About [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

[(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 173382236) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
• PubChem CID: 173382236
• Molecular Formula: C25H26F3N5O2
• Molecular Weight: 485.51 g/mol
• Exact Mass: 485.20
• IUPAC Name: [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
• SMILES: Cc1ccc(-c2ncccn2)c(C(=O)N2CC[C@@H](C)C[C@H]2COc2cc(C)c(C(F)(F)F)cn2)n1
• InChI: InChI=1S/C25H26F3N5O2/c1-15-7-10-33(18(11-15)14-35-21-12-16(2)20(13-31-21)25(26,27)28)24(34)22-19(6-5-17(3)32-22)23-29-8-4-9-30-23/h4-6,8-9,12-13,15,18H,7,10-11,14H2,1-3H3/t15-,18+/m1/s1
• InChIKey: LUNIZDAAAIRBQV-QAPCUYQASA-N
• XLogP: 4.89
• TPSA: 81.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.51
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The IUPAC name of [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 173382236) is [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

What is the SMILES notation for [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The canonical SMILES for [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2CC[C@@H](C)C[C@H]2COc2cc(C)c(C(F)(F)F)cn2)n1.

What is the InChIKey of [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The InChIKey is LUNIZDAAAIRBQV-QAPCUYQASA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-15-7-10-33(18(11-15)14-35-21-12-16(2)20(13-31-21)25(26,27)28)24(34)22-19(6-5-17(3)32-22)23-29-8-4-9-30-23/h4-6,8-9,12-13,15,18H,7,10-11,14H2,1-3H3/t15-,18+/m1/s1.

What are the key properties of [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

[(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 485.51 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4R)-4-methyl-2-[[4-methyl-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 173382236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).