tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate

C18H25N5O3 — CID 170986544

IUPACtert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cnc3nonc3c1)C2
InChIInChI=1S/C18H25N5O3/c1-17(2,3)25-16(24)22-7-4-18(5-8-22)6-9-23(12-18)13-10-14-15(19-11-13)21-26-20-14/h10-11H,4-9,12H2,1-3H3
InChIKeyNQLLXFCJISJFON-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.85
Rot. Bonds1

About tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate

tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 170986544) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID170986544
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nametert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cnc3nonc3c1)C2
InChIInChI=1S/C18H25N5O3/c1-17(2,3)25-16(24)22-7-4-18(5-8-22)6-9-23(12-18)13-10-14-15(19-11-13)21-26-20-14/h10-11H,4-9,12H2,1-3H3
InChIKeyNQLLXFCJISJFON-UHFFFAOYSA-N
XLogP2.85
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(1-phenylpyrazol-4-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 146166426
tert-butyl 9-(1-methyl-6-oxopyridazin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 130449700
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753
tert-butyl 2-[5-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155345447
tert-butyl 2-(6-cyano-3-pyridinyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 155770085
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
tert-butyl 2-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 67500751
tert-butyl 7-[6-(methylcarbamoyl)-3-pyridinyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 176613438
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
CID 89265211
CID 89265211
CID 160639767
CID 160639767

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 170986544) is tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1cnc3nonc3c1)C2.
What is the InChIKey of tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is NQLLXFCJISJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-17(2,3)25-16(24)22-7-4-18(5-8-22)6-9-23(12-18)13-10-14-15(19-11-13)21-26-20-14/h10-11H,4-9,12H2,1-3H3.
What are the key properties of tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate?
tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-([1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 170986544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).