2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde

C20H19N5O3S — CID 123279745

IUPAC2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde
SMILESO=CCN1CCN(Cc2cc3ncc(Oc4nc5ncccc5s4)cc3o2)CC1
InChIInChI=1S/C20H19N5O3S/c26-9-8-24-4-6-25(7-5-24)13-15-10-16-17(27-15)11-14(12-22-16)28-20-23-19-18(29-20)2-1-3-21-19/h1-3,9-12H,4-8,13H2
InChIKeyJXMVZAJZABXZMW-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.94
Rot. Bonds6

About 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde

2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde (PubChem CID 123279745) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde
PubChem CID123279745
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde
SMILESO=CCN1CCN(Cc2cc3ncc(Oc4nc5ncccc5s4)cc3o2)CC1
InChIInChI=1S/C20H19N5O3S/c26-9-8-24-4-6-25(7-5-24)13-15-10-16-17(27-15)11-14(12-22-16)28-20-23-19-18(29-20)2-1-3-21-19/h1-3,9-12H,4-8,13H2
InChIKeyJXMVZAJZABXZMW-UHFFFAOYSA-N
XLogP2.94
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde?
The IUPAC name of 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde (CID 123279745) is 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde is O=CCN1CCN(Cc2cc3ncc(Oc4nc5ncccc5s4)cc3o2)CC1.
What is the InChIKey of 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde?
The InChIKey is JXMVZAJZABXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-9-8-24-4-6-25(7-5-24)13-15-10-16-17(27-15)11-14(12-22-16)28-20-23-19-18(29-20)2-1-3-21-19/h1-3,9-12H,4-8,13H2.
What are the key properties of 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde?
2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde has a molecular weight of 409.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)furo[3,2-b]pyridin-2-yl]methyl]piperazin-1-yl]acetaldehyde is sourced from PubChem (CID 123279745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).