5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine

C17H11F4N7O — CID 162722002

IUPAC5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine
SMILESNc1cncc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1
InChIInChI=1S/C17H11F4N7O/c18-12-2-8(16-25-26-17(29-16)15(20)21)3-13(19)11(12)6-28-7-14(24-27-28)9-1-10(22)5-23-4-9/h1-5,7,15H,6,22H2
InChIKeyXHEWZWMSOZQYKX-UHFFFAOYSA-N
MW405.32 g/mol
LogP3.24
Rot. Bonds5

About 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine

5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine (PubChem CID 162722002) has the molecular formula C17H11F4N7O and a molecular weight of 405.32 g/mol. Its IUPAC name is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine
PubChem CID162722002
Molecular FormulaC17H11F4N7O
Molecular Weight405.32 g/mol
Exact Mass405.10
IUPAC Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine
SMILESNc1cncc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1
InChIInChI=1S/C17H11F4N7O/c18-12-2-8(16-25-26-17(29-16)15(20)21)3-13(19)11(12)6-28-7-14(24-27-28)9-1-10(22)5-23-4-9/h1-5,7,15H,6,22H2
InChIKeyXHEWZWMSOZQYKX-UHFFFAOYSA-N
XLogP3.24
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine with MolForge

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Related Compounds

US10464911, Example 31
CID 126507518
2-(4-Fluorophenyl)-5-[(1-phenyltriazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 60182286
US10464911, Example 30
CID 126508037
US10464911, Example 27
CID 126508360
US10464911, Example 28
CID 126508491
US10464911, Example 53
CID 126508807
US10464911, Example 32
CID 126508971
2-(4-fluorophenyl)-5-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1,3,4-oxadiazole
CID 154998731
2-(Difluoromethyl)-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 155712024
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162443482
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,3-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721884
5-[1-[[2-Chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721900

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine?
The IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine (CID 162722002) is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine.
What is the SMILES notation for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine?
The canonical SMILES for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine is Nc1cncc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1.
What is the InChIKey of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine?
The InChIKey is XHEWZWMSOZQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N7O/c18-12-2-8(16-25-26-17(29-16)15(20)21)3-13(19)11(12)6-28-7-14(24-27-28)9-1-10(22)5-23-4-9/h1-5,7,15H,6,22H2.
What are the key properties of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine?
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine has a molecular weight of 405.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]pyridin-3-amine is sourced from PubChem (CID 162722002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).