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

C28H32N4O4S — CID 59577643

IUPACtert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(Cc3coc4cc(Oc5nc6ncccc6s5)ccc34)CC2)C1
InChIInChI=1S/C28H32N4O4S/c1-27(2,3)36-26(33)32-14-10-28(18-32)8-12-31(13-9-28)16-19-17-34-22-15-20(6-7-21(19)22)35-25-30-24-23(37-25)5-4-11-29-24/h4-7,11,15,17H,8-10,12-14,16,18H2,1-3H3
InChIKeyBDAVCSXIMGAOKN-UHFFFAOYSA-N
MW520.66 g/mol
LogP6.45
Rot. Bonds4

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

tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 59577643) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID59577643
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC Nametert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CCN(Cc3coc4cc(Oc5nc6ncccc6s5)ccc34)CC2)C1
InChIInChI=1S/C28H32N4O4S/c1-27(2,3)36-26(33)32-14-10-28(18-32)8-12-31(13-9-28)16-19-17-34-22-15-20(6-7-21(19)22)35-25-30-24-23(37-25)5-4-11-29-24/h4-7,11,15,17H,8-10,12-14,16,18H2,1-3H3
InChIKeyBDAVCSXIMGAOKN-UHFFFAOYSA-N
XLogP6.45
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.66
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

1-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 59577548
2-[[3-(piperidin-1-ylmethyl)-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577564
tert-butyl (1S,4S)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 68770275
2-[[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577573
formic acid;2-[[3-[(4-methoxypiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 66787476
formic acid;2-[[3-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 66786867
formic acid;2-[[3-[(4-phenylpiperidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 66787554
2-[[3-[(3-propoxyazetidin-1-yl)methyl]-1-benzofuran-6-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine
CID 59577584
oxolan-3-yl-[2-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 59577391
[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methanamine
CID 59577515
6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-carboxylic acid
CID 59577623
(1S,4S)-5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 66787648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 59577643) is tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CCN(Cc3coc4cc(Oc5nc6ncccc6s5)ccc34)CC2)C1.
What is the InChIKey of tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is BDAVCSXIMGAOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-27(2,3)36-26(33)32-14-10-28(18-32)8-12-31(13-9-28)16-19-17-34-22-15-20(6-7-21(19)22)35-25-30-24-23(37-25)5-4-11-29-24/h4-7,11,15,17H,8-10,12-14,16,18H2,1-3H3.
What are the key properties of tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 520.66 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 59577643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).