7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine

C24H31F3N4OS — CID 168906728

IUPAC7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
SMILESCC(C)n1ccc(-c2ccc(C(F)(F)F)nc2)n1.O=S1CC2(CCN(C3CC4CC4C3)C2)C1
InChIInChI=1S/C12H12F3N3.C12H19NOS/c1-8(2)18-6-5-10(17-18)9-3-4-11(16-7-9)12(13,14)15;14-15-7-12(8-15)1-2-13(6-12)11-4-9-3-10(9)5-11/h3-8H,1-2H3;9-11H,1-8H2
InChIKeyVMWNWIJIZXQNCH-UHFFFAOYSA-N
MW480.60 g/mol
LogP4.78
Rot. Bonds3

About 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine

7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine (PubChem CID 168906728) has the molecular formula C24H31F3N4OS and a molecular weight of 480.60 g/mol. Its IUPAC name is 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
PubChem CID168906728
Molecular FormulaC24H31F3N4OS
Molecular Weight480.60 g/mol
Exact Mass480.22
IUPAC Name7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
SMILESCC(C)n1ccc(-c2ccc(C(F)(F)F)nc2)n1.O=S1CC2(CCN(C3CC4CC4C3)C2)C1
InChIInChI=1S/C12H12F3N3.C12H19NOS/c1-8(2)18-6-5-10(17-18)9-3-4-11(16-7-9)12(13,14)15;14-15-7-12(8-15)1-2-13(6-12)11-4-9-3-10(9)5-11/h3-8H,1-2H3;9-11H,1-8H2
InChIKeyVMWNWIJIZXQNCH-UHFFFAOYSA-N
XLogP4.78
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine with MolForge

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Related Compounds

7-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine
CID 168906936
7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
CID 168906730
7-cyclohexyl-2-thia-7-azaspiro[3.4]octane;1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 168906945
7-[(1R,3R)-3-[6-(trifluoromethyl)-3-pyridinyl]cyclohexyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide;hydrate
CID 168907252
7-[(1S,3S)-3-[6-(trifluoromethyl)-3-pyridinyl]cyclohexyl]-2λ4-thia-7-azaspiro[3.5]nonane 2-oxide;hydrate
CID 168907198
(5R)-bicyclo[3.1.0]hexane;ethane;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866370
ethane;propane;7-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]-2-thia-7-azaspiro[3.4]octane
CID 168907006
7-[1-[5-fluoro-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-2λ4-thia-7-azaspiro[3.4]octane 2-oxide
CID 168907353
3-(difluoromethoxy)-5-(1-propan-2-ylpyrazol-3-yl)pyridin-2-amine;ethane;(5S)-3-fluorobicyclo[3.1.0]hexane
CID 144866404
3-(4-ethylphenyl)-1-propan-2-ylpyrazole
CID 176678956
ethane;3-fluoro-1-(3-methylcyclopentyl)azetidine;5-(1-propan-2-ylpyrazol-3-yl)-3-(trifluoromethoxy)pyridin-2-amine
CID 144866228
5-[5-(trideuteriomethyl)-1H-imidazol-2-yl]-2-(trifluoromethyl)pyridine
CID 151562232

Frequently Asked Questions

What is the IUPAC name of 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine (CID 168906728) is 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine is CC(C)n1ccc(-c2ccc(C(F)(F)F)nc2)n1.O=S1CC2(CCN(C3CC4CC4C3)C2)C1.
What is the InChIKey of 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is VMWNWIJIZXQNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3.C12H19NOS/c1-8(2)18-6-5-10(17-18)9-3-4-11(16-7-9)12(13,14)15;14-15-7-12(8-15)1-2-13(6-12)11-4-9-3-10(9)5-11/h3-8H,1-2H3;9-11H,1-8H2.
What are the key properties of 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine?
7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 480.60 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bicyclo[3.1.0]hexanyl)-2λ4-thia-7-azaspiro[3.4]octane 2-oxide;5-(1-propan-2-ylpyrazol-3-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 168906728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).