6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one

C24H21F2N7O2 — CID 162722802

IUPAC6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc2C12CCNCC2
InChIInChI=1S/C24H21F2N7O2/c25-20(26)22-31-30-21(35-22)15-3-1-14(2-4-15)12-33-13-19(29-32-33)16-5-6-17-18(11-16)28-23(34)24(17)7-9-27-10-8-24/h1-6,11,13,20,27H,7-10,12H2,(H,28,34)
InChIKeyZHIHMSDWSQIPGH-UHFFFAOYSA-N
MW477.48 g/mol
LogP3.55
Rot. Bonds5

About 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one

6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 162722802) has the molecular formula C24H21F2N7O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID162722802
Molecular FormulaC24H21F2N7O2
Molecular Weight477.48 g/mol
Exact Mass477.17
IUPAC Name6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESO=C1Nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc2C12CCNCC2
InChIInChI=1S/C24H21F2N7O2/c25-20(26)22-31-30-21(35-22)15-3-1-14(2-4-15)12-33-13-19(29-32-33)16-5-6-17-18(11-16)28-23(34)24(17)7-9-27-10-8-24/h1-6,11,13,20,27H,7-10,12H2,(H,28,34)
InChIKeyZHIHMSDWSQIPGH-UHFFFAOYSA-N
XLogP3.55
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 155712024
CID 155712024
CID 162443289
CID 162443289
CID 162443482
CID 162443482
CID 162721904
CID 162721904
CID 162721909
CID 162721909
CID 162721921
CID 162721921
CID 162721928
CID 162721928
CID 162721933
CID 162721933
CID 162721943
CID 162721943
CID 162721958
CID 162721958
CID 162721964
CID 162721964
CID 162722042
CID 162722042

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 162722802) is 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one is O=C1Nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc2C12CCNCC2.
What is the InChIKey of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is ZHIHMSDWSQIPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N7O2/c25-20(26)22-31-30-21(35-22)15-3-1-14(2-4-15)12-33-13-19(29-32-33)16-5-6-17-18(11-16)28-23(34)24(17)7-9-27-10-8-24/h1-6,11,13,20,27H,7-10,12H2,(H,28,34).
What are the key properties of 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 477.48 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 162722802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).