cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone

C22H28FN5O2 — CID 176862677

IUPACcyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
SMILESCC(C)(F)c1nc(-c2ccc(N3CC4CC(C3)N4C(=O)C3CCCCC3)nc2)no1
InChIInChI=1S/C22H28FN5O2/c1-22(2,23)21-25-19(26-30-21)15-8-9-18(24-11-15)27-12-16-10-17(13-27)28(16)20(29)14-6-4-3-5-7-14/h8-9,11,14,16-17H,3-7,10,12-13H2,1-2H3
InChIKeyAOEPBRDOEWZUPL-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.71
Rot. Bonds4

About cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone

cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone (PubChem CID 176862677) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
PubChem CID176862677
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC Namecyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone
SMILESCC(C)(F)c1nc(-c2ccc(N3CC4CC(C3)N4C(=O)C3CCCCC3)nc2)no1
InChIInChI=1S/C22H28FN5O2/c1-22(2,23)21-25-19(26-30-21)15-8-9-18(24-11-15)27-12-16-10-17(13-27)28(16)20(29)14-6-4-3-5-7-14/h8-9,11,14,16-17H,3-7,10,12-13H2,1-2H3
InChIKeyAOEPBRDOEWZUPL-UHFFFAOYSA-N
XLogP3.71
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone with MolForge

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Related Compounds

[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(oxan-4-yl)methanone
CID 176862686
cyclobutyl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491592
3-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 175784176
1-[5-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,2-diphenylethanone
CID 176862738
6-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 175784314
(3R)-6-cyclohexyl-3-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59059269
N-[4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]phenyl]acetamide
CID 90491564
tert-butyl (3S)-6-cyclohexyl-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]hexanoate
CID 135712657
tert-butyl 2-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 165130455
tert-butyl (3R)-3-[3-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 154661075
N,N-dimethyl-4-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazine-1-carbonyl]benzenesulfonamide
CID 121073189
3-[6-[5-(benzenesulfonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 175784288

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone?
The IUPAC name of cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone (CID 176862677) is cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone?
The canonical SMILES for cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone is CC(C)(F)c1nc(-c2ccc(N3CC4CC(C3)N4C(=O)C3CCCCC3)nc2)no1.
What is the InChIKey of cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone?
The InChIKey is AOEPBRDOEWZUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c1-22(2,23)21-25-19(26-30-21)15-8-9-18(24-11-15)27-12-16-10-17(13-27)28(16)20(29)14-6-4-3-5-7-14/h8-9,11,14,16-17H,3-7,10,12-13H2,1-2H3.
What are the key properties of cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone?
cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone has a molecular weight of 413.50 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-[5-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methanone is sourced from PubChem (CID 176862677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).