Skip to content

5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide

C26H20F4N8O3 — CID 162722875

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NCc2ccc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)cc2)cc1C(N)=O
InChIInChI=1S/C26H20F4N8O3/c1-40-25-17(23(31)39)8-16(10-33-25)32-9-13-2-4-14(5-3-13)21-12-38(37-34-21)11-18-19(27)6-15(7-20(18)28)24-35-36-26(41-24)22(29)30/h2-8,10,12,22,32H,9,11H2,1H3,(H2,31,39)
InChIKeySHDSFYTYUWNISD-UHFFFAOYSA-N
MW568.49 g/mol
LogP4.37
Rot. Bonds10

About 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide

5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide (PubChem CID 162722875) has the molecular formula C26H20F4N8O3 and a molecular weight of 568.49 g/mol. Its IUPAC name is 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]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]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide
PubChem CID162722875
Molecular FormulaC26H20F4N8O3
Molecular Weight568.49 g/mol
Exact Mass568.16
IUPAC Name5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(NCc2ccc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)cc2)cc1C(N)=O
InChIInChI=1S/C26H20F4N8O3/c1-40-25-17(23(31)39)8-16(10-33-25)32-9-13-2-4-14(5-3-13)21-12-38(37-34-21)11-18-19(27)6-15(7-20(18)28)24-35-36-26(41-24)22(29)30/h2-8,10,12,22,32H,9,11H2,1H3,(H2,31,39)
InChIKeySHDSFYTYUWNISD-UHFFFAOYSA-N
XLogP4.37
TPSA146.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.49
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]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]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide (CID 162722875) is 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]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]-2,6-difluorophenyl]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]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide is COc1ncc(NCc2ccc(-c3cn(Cc4c(F)cc(-c5nnc(C(F)F)o5)cc4F)nn3)cc2)cc1C(N)=O.
What is the InChIKey of 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?
The InChIKey is SHDSFYTYUWNISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N8O3/c1-40-25-17(23(31)39)8-16(10-33-25)32-9-13-2-4-14(5-3-13)21-12-38(37-34-21)11-18-19(27)6-15(7-20(18)28)24-35-36-26(41-24)22(29)30/h2-8,10,12,22,32H,9,11H2,1H3,(H2,31,39).
What are the key properties of 5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide?
5-[[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide has a molecular weight of 568.49 g/mol, XLogP of 4.37, 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]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]methylamino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 162722875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.