1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

C21H19N5O3S — CID 59577552

IUPAC1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
SMILESCC(=O)N1CC2CC1CN2Cc1cc2ncc(Oc3nc4ncccc4s3)cc2o1
InChIInChI=1S/C21H19N5O3S/c1-12(27)26-10-13-5-14(26)9-25(13)11-16-6-17-18(28-16)7-15(8-23-17)29-21-24-20-19(30-21)3-2-4-22-20/h2-4,6-8,13-14H,5,9-11H2,1H3
InChIKeyZAOGLWILUXCHNZ-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.43
Rot. Bonds4

About 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone

1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone (PubChem CID 59577552) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
PubChem CID59577552
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone
SMILESCC(=O)N1CC2CC1CN2Cc1cc2ncc(Oc3nc4ncccc4s3)cc2o1
InChIInChI=1S/C21H19N5O3S/c1-12(27)26-10-13-5-14(26)9-25(13)11-16-6-17-18(28-16)7-15(8-23-17)29-21-24-20-19(30-21)3-2-4-22-20/h2-4,6-8,13-14H,5,9-11H2,1H3
InChIKeyZAOGLWILUXCHNZ-UHFFFAOYSA-N
XLogP3.43
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The IUPAC name of 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone (CID 59577552) is 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The canonical SMILES for 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone is CC(=O)N1CC2CC1CN2Cc1cc2ncc(Oc3nc4ncccc4s3)cc2o1.
What is the InChIKey of 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
The InChIKey is ZAOGLWILUXCHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-12(27)26-10-13-5-14(26)9-25(13)11-16-6-17-18(28-16)7-15(8-23-17)29-21-24-20-19(30-21)3-2-4-22-20/h2-4,6-8,13-14H,5,9-11H2,1H3.
What are the key properties of 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone?
1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone has a molecular weight of 421.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanone is sourced from PubChem (CID 59577552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).