6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one

C18H12F2N8O2 — CID 162722513

IUPAC6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)cc21
InChIInChI=1S/C18H12F2N8O2/c19-14(20)18-25-24-17(30-18)11-3-4-12(21-7-11)8-28-26-15(23-27-28)9-1-2-10-6-22-16(29)13(10)5-9/h1-5,7,14H,6,8H2,(H,22,29)
InChIKeyHUHKHDDDRIDTNY-UHFFFAOYSA-N
MW410.34 g/mol
LogP2.01
Rot. Bonds5

About 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one

6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 162722513) has the molecular formula C18H12F2N8O2 and a molecular weight of 410.34 g/mol. Its IUPAC name is 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID162722513
Molecular FormulaC18H12F2N8O2
Molecular Weight410.34 g/mol
Exact Mass410.11
IUPAC Name6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)cc21
InChIInChI=1S/C18H12F2N8O2/c19-14(20)18-25-24-17(30-18)11-3-4-12(21-7-11)8-28-26-15(23-27-28)9-1-2-10-6-22-16(29)13(10)5-9/h1-5,7,14H,6,8H2,(H,22,29)
InChIKeyHUHKHDDDRIDTNY-UHFFFAOYSA-N
XLogP2.01
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one 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 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one (CID 162722513) is 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)cc21.
What is the InChIKey of 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is HUHKHDDDRIDTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N8O2/c19-14(20)18-25-24-17(30-18)11-3-4-12(21-7-11)8-28-26-15(23-27-28)9-1-2-10-6-22-16(29)13(10)5-9/h1-5,7,14H,6,8H2,(H,22,29).
What are the key properties of 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one?
6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 410.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 162722513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).