4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine

C24H26N4O3S — CID 59577527

IUPAC4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine
SMILESc1cnc2nc(Oc3ccc4c(CN5CCC(N6CCOCC6)CC5)coc4c3)sc2c1
InChIInChI=1S/C24H26N4O3S/c1-2-22-23(25-7-1)26-24(32-22)31-19-3-4-20-17(16-30-21(20)14-19)15-27-8-5-18(6-9-27)28-10-12-29-13-11-28/h1-4,7,14,16,18H,5-6,8-13,15H2
InChIKeyHRZQZHBONVURHV-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.53
Rot. Bonds5

About 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine

4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine (PubChem CID 59577527) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine
PubChem CID59577527
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine
SMILESc1cnc2nc(Oc3ccc4c(CN5CCC(N6CCOCC6)CC5)coc4c3)sc2c1
InChIInChI=1S/C24H26N4O3S/c1-2-22-23(25-7-1)26-24(32-22)31-19-3-4-20-17(16-30-21(20)14-19)15-27-8-5-18(6-9-27)28-10-12-29-13-11-28/h1-4,7,14,16,18H,5-6,8-13,15H2
InChIKeyHRZQZHBONVURHV-UHFFFAOYSA-N
XLogP4.53
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine (CID 59577527) is 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine is c1cnc2nc(Oc3ccc4c(CN5CCC(N6CCOCC6)CC5)coc4c3)sc2c1.
What is the InChIKey of 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine?
The InChIKey is HRZQZHBONVURHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-2-22-23(25-7-1)26-24(32-22)31-19-3-4-20-17(16-30-21(20)14-19)15-27-8-5-18(6-9-27)28-10-12-29-13-11-28/h1-4,7,14,16,18H,5-6,8-13,15H2.
What are the key properties of 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine?
4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine has a molecular weight of 450.56 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-3-yl]methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 59577527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).