(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

C24H25F3N6O — CID 75598286

About (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 75598286) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 75598286
• Molecular Formula: C24H25F3N6O
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.20
• IUPAC Name: (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(-c2ncccn2)c(C(=O)N2CC(C)CCC2CNc2ncccc2C(F)(F)F)n1
• InChI: InChI=1S/C24H25F3N6O/c1-15-6-8-17(13-31-22-19(24(25,26)27)5-3-10-30-22)33(14-15)23(34)20-18(9-7-16(2)32-20)21-28-11-4-12-29-21/h3-5,7,9-12,15,17H,6,8,13-14H2,1-2H3,(H,30,31)
• InChIKey: KUWBFISNMRGEQS-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (CID 75598286) is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

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

The canonical SMILES for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2CC(C)CCC2CNc2ncccc2C(F)(F)F)n1.

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

The InChIKey is KUWBFISNMRGEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-15-6-8-17(13-31-22-19(24(25,26)27)5-3-10-30-22)33(14-15)23(34)20-18(9-7-16(2)32-20)21-28-11-4-12-29-21/h3-5,7,9-12,15,17H,6,8,13-14H2,1-2H3,(H,30,31).

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

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 470.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[5-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 75598286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).