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

C26H22F2N8O3 — CID 162722152

IUPAC5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NCc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2)cc1C(N)=O
InChIInChI=1S/C26H22F2N8O3/c1-38-25-20(23(29)37)10-19(12-31-25)30-11-15-2-6-17(7-3-15)21-14-36(35-32-21)13-16-4-8-18(9-5-16)24-33-34-26(39-24)22(27)28/h2-10,12,14,22,30H,11,13H2,1H3,(H2,29,37)
InChIKeyHRLZXWXOLDYNJJ-UHFFFAOYSA-N
MW532.51 g/mol
LogP4.10
Rot. Bonds10

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

5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide (PubChem CID 162722152) has the molecular formula C26H22F2N8O3 and a molecular weight of 532.51 g/mol. Its IUPAC name is 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide
PubChem CID162722152
Molecular FormulaC26H22F2N8O3
Molecular Weight532.51 g/mol
Exact Mass532.18
IUPAC Name5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NCc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2)cc1C(N)=O
InChIInChI=1S/C26H22F2N8O3/c1-38-25-20(23(29)37)10-19(12-31-25)30-11-15-2-6-17(7-3-15)21-14-36(35-32-21)13-16-4-8-18(9-5-16)24-33-34-26(39-24)22(27)28/h2-10,12,14,22,30H,11,13H2,1H3,(H2,29,37)
InChIKeyHRLZXWXOLDYNJJ-UHFFFAOYSA-N
XLogP4.10
TPSA146.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

(5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-yl)methanamine
CID 162722245
1-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 162722487
1-[[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]methyl]-1-ethyl-3-(2-methoxy-3-pyridinyl)urea
CID 162722583
5-((4-(4-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1H-1,2,3-triazol-1-yl)benzyl)amino)-2-methoxynicotinamide
CID 162722588
2-(Difluoromethyl)-5-[4-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722629
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide
CID 162722780
2-(Difluoromethyl)-5-[6-[[4-(2-methoxy-3-pyridinyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722816
5-((4-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,6-difluorobenzyl)-1H-1,2,3-triazol-4-yl)benzyl)amino)-2-methoxynicotinamide
CID 162722875
3-(4-methoxyphenyl)-1-phenyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methyl]pyrazole-4-carboxamide
CID 134135515
2-[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 90643443
US12202823, Example 50
CID 167152167
5-benzyl-N-(2-(1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamido)ethyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 24782456

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide (CID 162722152) is 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide is COc1ncc(NCc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2)cc1C(N)=O.
What is the InChIKey of 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?
The InChIKey is HRLZXWXOLDYNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N8O3/c1-38-25-20(23(29)37)10-19(12-31-25)30-11-15-2-6-17(7-3-15)21-14-36(35-32-21)13-16-4-8-18(9-5-16)24-33-34-26(39-24)22(27)28/h2-10,12,14,22,30H,11,13H2,1H3,(H2,29,37).
What are the key properties of 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?
5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide has a molecular weight of 532.51 g/mol, XLogP of 4.10, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 162722152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).