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

C26H26N4O4S — CID 59577391

IUPACoxolan-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
SMILESO=C(C1CCOC1)N1CC2CN(Cc3coc4cc(Oc5nc6ncccc6s5)ccc34)CC2C1
InChIInChI=1S/C26H26N4O4S/c31-25(16-5-7-32-14-16)30-12-17-9-29(10-18(17)13-30)11-19-15-33-22-8-20(3-4-21(19)22)34-26-28-24-23(35-26)2-1-6-27-24/h1-4,6,8,15-18H,5,7,9-14H2
InChIKeyRSTCLMXQBAZIPP-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.16
Rot. Bonds5

About 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

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 (PubChem CID 59577391) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameoxolan-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
PubChem CID59577391
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Nameoxolan-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
SMILESO=C(C1CCOC1)N1CC2CN(Cc3coc4cc(Oc5nc6ncccc6s5)ccc34)CC2C1
InChIInChI=1S/C26H26N4O4S/c31-25(16-5-7-32-14-16)30-12-17-9-29(10-18(17)13-30)11-19-15-33-22-8-20(3-4-21(19)22)34-26-28-24-23(35-26)2-1-6-27-24/h1-4,6,8,15-18H,5,7,9-14H2
InChIKeyRSTCLMXQBAZIPP-UHFFFAOYSA-N
XLogP4.16
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(C1CCOC1)N1CC2CN(Cc3coc4cc(Oc5nc6ncccc6s5)ccc34)CC2C1.
What is the InChIKey of 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?
The InChIKey is RSTCLMXQBAZIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c31-25(16-5-7-32-14-16)30-12-17-9-29(10-18(17)13-30)11-19-15-33-22-8-20(3-4-21(19)22)34-26-28-24-23(35-26)2-1-6-27-24/h1-4,6,8,15-18H,5,7,9-14H2.
What are the key properties of 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?
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 has a molecular weight of 490.59 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59577391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).