5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one

C24H20F2N6O2 — CID 162722276

IUPAC5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2C12CCCC2
InChIInChI=1S/C24H20F2N6O2/c25-20(26)22-30-29-21(34-22)15-5-3-14(4-6-15)12-32-13-19(28-31-32)16-7-8-18-17(11-16)24(23(33)27-18)9-1-2-10-24/h3-8,11,13,20H,1-2,9-10,12H2,(H,27,33)
InChIKeyWKHGIIPGTMKZGB-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.74
Rot. Bonds5

About 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one

5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one (PubChem CID 162722276) has the molecular formula C24H20F2N6O2 and a molecular weight of 462.46 g/mol. Its IUPAC name is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one
PubChem CID162722276
Molecular FormulaC24H20F2N6O2
Molecular Weight462.46 g/mol
Exact Mass462.16
IUPAC Name5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2C12CCCC2
InChIInChI=1S/C24H20F2N6O2/c25-20(26)22-30-29-21(34-22)15-5-3-14(4-6-15)12-32-13-19(28-31-32)16-7-8-18-17(11-16)24(23(33)27-18)9-1-2-10-24/h3-8,11,13,20H,1-2,9-10,12H2,(H,27,33)
InChIKeyWKHGIIPGTMKZGB-UHFFFAOYSA-N
XLogP4.74
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one?
The IUPAC name of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one (CID 162722276) is 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one?
The canonical SMILES for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one is O=C1Nc2ccc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)cc2C12CCCC2.
What is the InChIKey of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one?
The InChIKey is WKHGIIPGTMKZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O2/c25-20(26)22-30-29-21(34-22)15-5-3-14(4-6-15)12-32-13-19(28-31-32)16-7-8-18-17(11-16)24(23(33)27-18)9-1-2-10-24/h3-8,11,13,20H,1-2,9-10,12H2,(H,27,33).
What are the key properties of 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one?
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one has a molecular weight of 462.46 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 162722276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).