7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

C24H22F2N8O2 — CID 162722340

IUPAC7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1Nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc2NC12CCNCC2
InChIInChI=1S/C24H22F2N8O2/c25-20(26)22-32-31-21(36-22)15-3-1-14(2-4-15)12-34-13-19(30-33-34)16-5-6-17-18(11-16)28-23(35)24(29-17)7-9-27-10-8-24/h1-6,11,13,20,27,29H,7-10,12H2,(H,28,35)
InChIKeyIOSMRVKWNPJRCP-UHFFFAOYSA-N
MW492.49 g/mol
LogP3.47
Rot. Bonds5

About 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one

7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (PubChem CID 162722340) has the molecular formula C24H22F2N8O2 and a molecular weight of 492.49 g/mol. Its IUPAC name is 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
PubChem CID162722340
Molecular FormulaC24H22F2N8O2
Molecular Weight492.49 g/mol
Exact Mass492.18
IUPAC Name7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
SMILESO=C1Nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc2NC12CCNCC2
InChIInChI=1S/C24H22F2N8O2/c25-20(26)22-32-31-21(36-22)15-3-1-14(2-4-15)12-34-13-19(30-33-34)16-5-6-17-18(11-16)28-23(35)24(29-17)7-9-27-10-8-24/h1-6,11,13,20,27,29H,7-10,12H2,(H,28,35)
InChIKeyIOSMRVKWNPJRCP-UHFFFAOYSA-N
XLogP3.47
TPSA122.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one with MolForge

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Related Compounds

3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162443482
Tert-butyl 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]-3-oxospiro[1,4-dihydroquinoxaline-2,4'-piperidine]-1'-carboxylate
CID 162721870
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162721909
7-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 162721915
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]acetamide
CID 162721933
3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-ethylaniline
CID 162721943
7'-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-1',4'-dihydro-3'H-spiro[piperidine-4,2'-quinoxalin]-3'-one
CID 162721955
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]aniline
CID 162721958
4-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162722085
8-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,6-difluorobenzyl)-1H-1,2,3-triazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[e][1,4]diazepin-2-one
CID 162722121
N-(cyclopropylmethyl)-1-[4-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]benzoyl]piperidine-3-carboxamide
CID 162722140
N-[3-[1-[1-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]ethyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 162722162

Frequently Asked Questions

What is the IUPAC name of 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The IUPAC name of 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one (CID 162722340) is 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one.
What is the SMILES notation for 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The canonical SMILES for 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is O=C1Nc2cc(-c3cn(Cc4ccc(-c5nnc(C(F)F)o5)cc4)nn3)ccc2NC12CCNCC2.
What is the InChIKey of 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
The InChIKey is IOSMRVKWNPJRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O2/c25-20(26)22-32-31-21(36-22)15-3-1-14(2-4-15)12-34-13-19(30-33-34)16-5-6-17-18(11-16)28-23(35)24(29-17)7-9-27-10-8-24/h1-6,11,13,20,27,29H,7-10,12H2,(H,28,35).
What are the key properties of 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one?
7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one has a molecular weight of 492.49 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one is sourced from PubChem (CID 162722340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).