4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

C25H25F5N6O2 — CID 170429899

About 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide

4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 170429899) has the molecular formula C25H25F5N6O2 and a molecular weight of 536.51 g/mol. Its IUPAC name is 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 170429899
• Molecular Formula: C25H25F5N6O2
• Molecular Weight: 536.51 g/mol
• Exact Mass: 536.20
• IUPAC Name: 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cn1cnnc1C(F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(F)C4)cc(C(F)(F)F)n3)c2)COC1
• InChI: InChI=1S/C25H25F5N6O2/c1-23(27)10-36(11-23)9-15-6-18(33-19(7-15)25(28,29)30)22(37)32-17-5-3-4-16(8-17)24(12-38-13-24)20(26)21-34-31-14-35(21)2/h3-8,14,20H,9-13H2,1-2H3,(H,32,37)
• InChIKey: OQIVFGAQYIHNGG-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.51
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 170429899) is 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1cnnc1C(F)C1(c2cccc(NC(=O)c3cc(CN4CC(C)(F)C4)cc(C(F)(F)F)n3)c2)COC1.

What is the InChIKey of 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is OQIVFGAQYIHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F5N6O2/c1-23(27)10-36(11-23)9-15-6-18(33-19(7-15)25(28,29)30)22(37)32-17-5-3-4-16(8-17)24(12-38-13-24)20(26)21-34-31-14-35(21)2/h3-8,14,20H,9-13H2,1-2H3,(H,32,37).

What are the key properties of 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide?

4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 536.51 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-fluoro-3-methylazetidin-1-yl)methyl]-N-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 170429899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).