1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

C22H21N5O3S — CID 59577471

IUPAC1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc2ncc(Oc3nc4ncccc4s3)cc2o1
InChIInChI=1S/C22H21N5O3S/c1-13(28)26-10-14-4-5-15(11-26)27(14)12-17-7-18-19(29-17)8-16(9-24-18)30-22-25-21-20(31-22)3-2-6-23-21/h2-3,6-9,14-15H,4-5,10-12H2,1H3/t14-,15+
InChIKeyMDKBSMNNCQZPJS-GASCZTMLSA-N
MW435.51 g/mol
LogP3.82
Rot. Bonds4

About 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone

1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (PubChem CID 59577471) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.

Molecular Properties

Compound Name1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
PubChem CID59577471
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc2ncc(Oc3nc4ncccc4s3)cc2o1
InChIInChI=1S/C22H21N5O3S/c1-13(28)26-10-14-4-5-15(11-26)27(14)12-17-7-18-19(29-17)8-16(9-24-18)30-22-25-21-20(31-22)3-2-6-23-21/h2-3,6-9,14-15H,4-5,10-12H2,1H3/t14-,15+
InChIKeyMDKBSMNNCQZPJS-GASCZTMLSA-N
XLogP3.82
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The IUPAC name of 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone (CID 59577471) is 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone.
What is the SMILES notation for 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The canonical SMILES for 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc2ncc(Oc3nc4ncccc4s3)cc2o1.
What is the InChIKey of 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
The InChIKey is MDKBSMNNCQZPJS-GASCZTMLSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-13(28)26-10-14-4-5-15(11-26)27(14)12-17-7-18-19(29-17)8-16(9-24-18)30-22-25-21-20(31-22)3-2-6-23-21/h2-3,6-9,14-15H,4-5,10-12H2,1H3/t14-,15+.
What are the key properties of 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone?
1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone has a molecular weight of 435.51 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-8-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone is sourced from PubChem (CID 59577471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).