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

C16H11F3N8O — CID 162721876

IUPAC5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cn(Cc3ncc(-c4nnc(C(F)F)o4)cc3F)nn2)cn1
InChIInChI=1S/C16H11F3N8O/c17-10-3-9(15-24-25-16(28-15)14(18)19)5-21-12(10)7-27-6-11(23-26-27)8-1-2-13(20)22-4-8/h1-6,14H,7H2,(H2,20,22)
InChIKeyIGOAACYDFABTIS-UHFFFAOYSA-N
MW388.31 g/mol
LogP2.49
Rot. Bonds5

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

5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine (PubChem CID 162721876) has the molecular formula C16H11F3N8O and a molecular weight of 388.31 g/mol. Its IUPAC name is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
PubChem CID162721876
Molecular FormulaC16H11F3N8O
Molecular Weight388.31 g/mol
Exact Mass388.10
IUPAC Name5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
SMILESNc1ccc(-c2cn(Cc3ncc(-c4nnc(C(F)F)o4)cc3F)nn2)cn1
InChIInChI=1S/C16H11F3N8O/c17-10-3-9(15-24-25-16(28-15)14(18)19)5-21-12(10)7-27-6-11(23-26-27)8-1-2-13(20)22-4-8/h1-6,14H,7H2,(H2,20,22)
InChIKeyIGOAACYDFABTIS-UHFFFAOYSA-N
XLogP2.49
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine (CID 162721876) is 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine is Nc1ccc(-c2cn(Cc3ncc(-c4nnc(C(F)F)o4)cc3F)nn2)cn1.
What is the InChIKey of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine?
The InChIKey is IGOAACYDFABTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N8O/c17-10-3-9(15-24-25-16(28-15)14(18)19)5-21-12(10)7-27-6-11(23-26-27)8-1-2-13(20)22-4-8/h1-6,14H,7H2,(H2,20,22).
What are the key properties of 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine?
5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 388.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162721876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).