6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one

C22H19F2N9O2 — CID 162722200

IUPAC6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)cc2NC12CCCC2
InChIInChI=1S/C22H19F2N9O2/c23-17(24)20-30-29-19(35-20)13-3-5-14(25-10-13)11-33-31-18(28-32-33)12-4-6-15-16(9-12)27-22(21(34)26-15)7-1-2-8-22/h3-6,9-10,17,27H,1-2,7-8,11H2,(H,26,34)
InChIKeyQTJLLWZXGSKPOJ-UHFFFAOYSA-N
MW479.45 g/mol
LogP3.45
Rot. Bonds5

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

6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 162722200) has the molecular formula C22H19F2N9O2 and a molecular weight of 479.45 g/mol. Its IUPAC name is 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
PubChem CID162722200
Molecular FormulaC22H19F2N9O2
Molecular Weight479.45 g/mol
Exact Mass479.16
IUPAC Name6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)cc2NC12CCCC2
InChIInChI=1S/C22H19F2N9O2/c23-17(24)20-30-29-19(35-20)13-3-5-14(25-10-13)11-33-31-18(28-32-33)12-4-6-15-16(9-12)27-22(21(34)26-15)7-1-2-8-22/h3-6,9-10,17,27H,1-2,7-8,11H2,(H,26,34)
InChIKeyQTJLLWZXGSKPOJ-UHFFFAOYSA-N
XLogP3.45
TPSA136.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one with MolForge

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Related Compounds

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
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
N-[4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 162722508
(3-(2-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-2H-tetrazol-5-yl)phenyl)(morpholino)methanone
CID 162722522
3-[2-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide
CID 162722549
N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide
CID 162722721
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]acetamide
CID 162722780
N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)phenyl)-4-methylpiperazine-1-carboxamide
CID 162722883
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]phenyl]morpholine-4-carboxamide
CID 168071674
2-(Difluoromethyl)-5-[6-[(5-phenyltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162443010
Hdac6-IN-23
CID 169450108
2-(Difluoromethyl)-5-[6-[(5-pyridin-3-yltetrazol-2-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 172466870

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]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (CID 162722200) is 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is O=C1Nc2ccc(-c3nnn(Cc4ccc(-c5nnc(C(F)F)o5)cn4)n3)cc2NC12CCCC2.
What is the InChIKey of 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is QTJLLWZXGSKPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N9O2/c23-17(24)20-30-29-19(35-20)13-3-5-14(25-10-13)11-33-31-18(28-32-33)12-4-6-15-16(9-12)27-22(21(34)26-15)7-1-2-8-22/h3-6,9-10,17,27H,1-2,7-8,11H2,(H,26,34).
What are the key properties of 6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
6-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 479.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 10 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]spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 162722200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).