5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide

C26H22F2N8O3 — CID 162722588

About 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide

5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide (PubChem CID 162722588) has the molecular formula C26H22F2N8O3 and a molecular weight of 532.51 g/mol. Its IUPAC name is 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide
• PubChem CID: 162722588
• Molecular Formula: C26H22F2N8O3
• Molecular Weight: 532.51 g/mol
• Exact Mass: 532.18
• IUPAC Name: 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(NCc2ccc(-n3cc(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2)cc1C(N)=O
• InChI: InChI=1S/C26H22F2N8O3/c1-38-25-21(23(29)37)11-18(13-31-25)30-12-16-4-8-20(9-5-16)36-14-19(32-35-36)10-15-2-6-17(7-3-15)24-33-34-26(39-24)22(27)28/h2-9,11,13-14,22,30H,10,12H2,1H3,(H2,29,37)
• InChIKey: SCNMUJHRLMDULK-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 146.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.51
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?

The IUPAC name of 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide (CID 162722588) is 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide is COc1ncc(NCc2ccc(-n3cc(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2)cc1C(N)=O.

What is the InChIKey of 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?

The InChIKey is SCNMUJHRLMDULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N8O3/c1-38-25-21(23(29)37)11-18(13-31-25)30-12-16-4-8-20(9-5-16)36-14-19(32-35-36)10-15-2-6-17(7-3-15)24-33-34-26(39-24)22(27)28/h2-9,11,13-14,22,30H,10,12H2,1H3,(H2,29,37).

What are the key properties of 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?

5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide has a molecular weight of 532.51 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-1-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 162722588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).