4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde

C24H23N5O3S — CID 59671557

IUPAC4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc3ncc(OCc4ccccc4)cc3s2)C(COc2cccnc2)C1
InChIInChI=1S/C24H23N5O3S/c30-17-28-9-10-29(19(14-28)16-32-20-7-4-8-25-12-20)24-27-23-22(33-24)11-21(13-26-23)31-15-18-5-2-1-3-6-18/h1-8,11-13,17,19H,9-10,14-16H2
InChIKeyCGXYXDBWOOSJEY-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.39
Rot. Bonds8

About 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde

4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde (PubChem CID 59671557) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde
PubChem CID59671557
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc3ncc(OCc4ccccc4)cc3s2)C(COc2cccnc2)C1
InChIInChI=1S/C24H23N5O3S/c30-17-28-9-10-29(19(14-28)16-32-20-7-4-8-25-12-20)24-27-23-22(33-24)11-21(13-26-23)31-15-18-5-2-1-3-6-18/h1-8,11-13,17,19H,9-10,14-16H2
InChIKeyCGXYXDBWOOSJEY-UHFFFAOYSA-N
XLogP3.39
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde (CID 59671557) is 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde is O=CN1CCN(c2nc3ncc(OCc4ccccc4)cc3s2)C(COc2cccnc2)C1.
What is the InChIKey of 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde?
The InChIKey is CGXYXDBWOOSJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c30-17-28-9-10-29(19(14-28)16-32-20-7-4-8-25-12-20)24-27-23-22(33-24)11-21(13-26-23)31-15-18-5-2-1-3-6-18/h1-8,11-13,17,19H,9-10,14-16H2.
What are the key properties of 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde?
4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde has a molecular weight of 461.55 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenylmethoxy-[1,3]thiazolo[4,5-b]pyridin-2-yl)-3-(pyridin-3-yloxymethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 59671557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).