4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile

C23H25N5S — CID 45482708

IUPAC4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1
InChIInChI=1S/C23H25N5S/c24-15-17-4-6-18(7-5-17)19-14-21-22(25-16-19)26-23(29-21)28-12-8-20(9-13-28)27-10-2-1-3-11-27/h4-7,14,16,20H,1-3,8-13H2
InChIKeyBFBFICFCZIEHLW-UHFFFAOYSA-N
MW403.56 g/mol
LogP4.68
Rot. Bonds3

About 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile

4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile (PubChem CID 45482708) has the molecular formula C23H25N5S and a molecular weight of 403.56 g/mol. Its IUPAC name is 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile
PubChem CID45482708
Molecular FormulaC23H25N5S
Molecular Weight403.56 g/mol
Exact Mass403.18
IUPAC Name4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1
InChIInChI=1S/C23H25N5S/c24-15-17-4-6-18(7-5-17)19-14-21-22(25-16-19)26-23(29-21)28-12-8-20(9-13-28)27-10-2-1-3-11-27/h4-7,14,16,20H,1-3,8-13H2
InChIKeyBFBFICFCZIEHLW-UHFFFAOYSA-N
XLogP4.68
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile (CID 45482708) is 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile is N#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cc1.
What is the InChIKey of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile?
The InChIKey is BFBFICFCZIEHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5S/c24-15-17-4-6-18(7-5-17)19-14-21-22(25-16-19)26-23(29-21)28-12-8-20(9-13-28)27-10-2-1-3-11-27/h4-7,14,16,20H,1-3,8-13H2.
What are the key properties of 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile?
4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile has a molecular weight of 403.56 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 45482708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).