(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone

C25H26F3N5O — CID 147421316

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

(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone (PubChem CID 147421316) has the molecular formula C25H26F3N5O and a molecular weight of 469.51 g/mol. Its IUPAC name is (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
• PubChem CID: 147421316
• Molecular Formula: C25H26F3N5O
• Molecular Weight: 469.51 g/mol
• Exact Mass: 469.21
• IUPAC Name: (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(-c2ccccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ncc(C(F)(F)F)cn2)n1
• InChI: InChI=1S/C25H26F3N5O/c1-16-6-5-13-33(21(16)10-11-22-30-14-18(15-31-22)25(26,27)28)24(34)23-19(9-8-17(2)32-23)20-7-3-4-12-29-20/h3-4,7-9,12,14-16,21H,5-6,10-11,13H2,1-2H3/t16-,21-/m1/s1
• InChIKey: DSNMINKJRURBBG-IIBYNOLFSA-N
• XLogP: 5.13
• TPSA: 71.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.51
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone (CID 147421316) is (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone.

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

The canonical SMILES for (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone is Cc1ccc(-c2ccccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CCc2ncc(C(F)(F)F)cn2)n1.

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

The InChIKey is DSNMINKJRURBBG-IIBYNOLFSA-N. The full InChI is InChI=1S/C25H26F3N5O/c1-16-6-5-13-33(21(16)10-11-22-30-14-18(15-31-22)25(26,27)28)24(34)23-19(9-8-17(2)32-23)20-7-3-4-12-29-20/h3-4,7-9,12,14-16,21H,5-6,10-11,13H2,1-2H3/t16-,21-/m1/s1.

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

(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone has a molecular weight of 469.51 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2R,3R)-3-methyl-2-[2-[5-(trifluoromethyl)pyrimidin-2-yl]ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 147421316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).