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

C22H27N5OS — CID 45482679

IUPAC6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1
InChIInChI=1S/C22H27N5OS/c1-28-20-14-16(5-8-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-6-18(7-12-27)26-9-3-2-4-10-26/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3
InChIKeyCQCYZYXYLGEQJN-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.22
Rot. Bonds4

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

6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 45482679) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID45482679
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1
InChIInChI=1S/C22H27N5OS/c1-28-20-14-16(5-8-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-6-18(7-12-27)26-9-3-2-4-10-26/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3
InChIKeyCQCYZYXYLGEQJN-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-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 45482679) is 6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is COc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1.
What is the InChIKey of 6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is CQCYZYXYLGEQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-28-20-14-16(5-8-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-6-18(7-12-27)26-9-3-2-4-10-26/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3.
What are the key properties of 6-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
6-(2-methoxy-4-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-(2-methoxy-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 45482679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).