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

C25H24F4N4O2 — CID 118320187

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

(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 118320187) has the molecular formula C25H24F4N4O2 and a molecular weight of 488.49 g/mol. Its IUPAC name is (3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
• PubChem CID: 118320187
• Molecular Formula: C25H24F4N4O2
• Molecular Weight: 488.49 g/mol
• Exact Mass: 488.18
• IUPAC Name: (3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(F)c(-c2ncccn2)c1C(=O)N1CCC[C@@H](C)[C@H]1COc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C25H24F4N4O2/c1-15-5-3-12-33(19(15)14-35-20-9-7-17(13-32-20)25(27,28)29)24(34)21-16(2)6-8-18(26)22(21)23-30-10-4-11-31-23/h4,6-11,13,15,19H,3,5,12,14H2,1-2H3/t15-,19-/m1/s1
• InChIKey: SGHJZRWJHRNHNY-DNVCBOLYSA-N
• XLogP: 5.32
• TPSA: 68.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.49
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 118320187) is (3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

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

The canonical SMILES for (3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is Cc1ccc(F)c(-c2ncccn2)c1C(=O)N1CCC[C@@H](C)[C@H]1COc1ccc(C(F)(F)F)cn1.

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

The InChIKey is SGHJZRWJHRNHNY-DNVCBOLYSA-N. The full InChI is InChI=1S/C25H24F4N4O2/c1-15-5-3-12-33(19(15)14-35-20-9-7-17(13-32-20)25(27,28)29)24(34)21-16(2)6-8-18(26)22(21)23-30-10-4-11-31-23/h4,6-11,13,15,19H,3,5,12,14H2,1-2H3/t15-,19-/m1/s1.

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

(3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 488.49 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-fluoro-6-methyl-2-pyrimidin-2-ylphenyl)-[(2S,3R)-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118320187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).