6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine

C22H27N5OS — CID 45482775

IUPAC6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C22H27N5OS/c1-28-20-6-5-16(14-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-7-18(8-12-27)26-9-3-2-4-10-26/h5-6,13-15,18H,2-4,7-12H2,1H3
InChIKeyHJLCHLAAXMALNR-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.22
Rot. Bonds4

About 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine

6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 45482775) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID45482775
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1
InChIInChI=1S/C22H27N5OS/c1-28-20-6-5-16(14-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-7-18(8-12-27)26-9-3-2-4-10-26/h5-6,13-15,18H,2-4,7-12H2,1H3
InChIKeyHJLCHLAAXMALNR-UHFFFAOYSA-N
XLogP4.22
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 45482775) is 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is COc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1.
What is the InChIKey of 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is HJLCHLAAXMALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-28-20-6-5-16(14-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-7-18(8-12-27)26-9-3-2-4-10-26/h5-6,13-15,18H,2-4,7-12H2,1H3.
What are the key properties of 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 409.56 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 45482775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).