5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one

C21H25N5OS — CID 45482728

IUPAC5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c[nH]1
InChIInChI=1S/C21H25N5OS/c27-20-5-4-15(13-23-20)17-12-19-18(14-22-17)24-21(28-19)26-10-6-16(7-11-26)25-8-2-1-3-9-25/h4-5,12-14,16H,1-3,6-11H2,(H,23,27)
InChIKeyVQVGSCXKGOBRQK-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.50
Rot. Bonds3

About 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one

5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one (PubChem CID 45482728) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one
PubChem CID45482728
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c[nH]1
InChIInChI=1S/C21H25N5OS/c27-20-5-4-15(13-23-20)17-12-19-18(14-22-17)24-21(28-19)26-10-6-16(7-11-26)25-8-2-1-3-9-25/h4-5,12-14,16H,1-3,6-11H2,(H,23,27)
InChIKeyVQVGSCXKGOBRQK-UHFFFAOYSA-N
XLogP3.50
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one (CID 45482728) is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one is O=c1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c[nH]1.
What is the InChIKey of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one?
The InChIKey is VQVGSCXKGOBRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c27-20-5-4-15(13-23-20)17-12-19-18(14-22-17)24-21(28-19)26-10-6-16(7-11-26)25-8-2-1-3-9-25/h4-5,12-14,16H,1-3,6-11H2,(H,23,27).
What are the key properties of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one?
5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one has a molecular weight of 395.53 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-1H-pyridin-2-one is sourced from PubChem (CID 45482728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).