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

C24H25F3N6O — CID 173004112

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

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 173004112) 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)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 173004112
• Molecular Formula: C24H25F3N6O
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.20
• IUPAC Name: (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
• SMILES: Cc1ccc(-c2ncccn2)c(C(=O)N2CC[C@@H](C)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1
• InChI: InChI=1S/C24H25F3N6O/c1-15-8-11-33(18(12-15)14-31-20-7-5-17(13-30-20)24(25,26)27)23(34)21-19(6-4-16(2)32-21)22-28-9-3-10-29-22/h3-7,9-10,13,15,18H,8,11-12,14H2,1-2H3,(H,30,31)/t15-,18+/m1/s1
• InChIKey: FALZGJABMVTYSY-QAPCUYQASA-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)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?

The IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (CID 173004112) is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

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

The canonical SMILES for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2CC[C@@H](C)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1.

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

The InChIKey is FALZGJABMVTYSY-QAPCUYQASA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-15-8-11-33(18(12-15)14-31-20-7-5-17(13-30-20)24(25,26)27)23(34)21-19(6-4-16(2)32-21)22-28-9-3-10-29-22/h3-7,9-10,13,15,18H,8,11-12,14H2,1-2H3,(H,30,31)/t15-,18+/m1/s1.

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

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,4R)-4-methyl-2-[[[5-(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)-[(2S,4R)-4-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 173004112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).