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

C22H24N6S — CID 45482693

IUPAC5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1
InChIInChI=1S/C22H24N6S/c23-12-16-10-17(14-24-13-16)19-11-21-20(15-25-19)26-22(29-21)28-8-4-18(5-9-28)27-6-2-1-3-7-27/h10-11,13-15,18H,1-9H2
InChIKeyPNNGZISXBRFXQE-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.08
Rot. Bonds3

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

5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile (PubChem CID 45482693) has the molecular formula C22H24N6S and a molecular weight of 404.54 g/mol. Its IUPAC name is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile
PubChem CID45482693
Molecular FormulaC22H24N6S
Molecular Weight404.54 g/mol
Exact Mass404.18
IUPAC Name5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1
InChIInChI=1S/C22H24N6S/c23-12-16-10-17(14-24-13-16)19-11-21-20(15-25-19)26-22(29-21)28-8-4-18(5-9-28)27-6-2-1-3-7-27/h10-11,13-15,18H,1-9H2
InChIKeyPNNGZISXBRFXQE-UHFFFAOYSA-N
XLogP4.08
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile (CID 45482693) is 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)c1.
What is the InChIKey of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile?
The InChIKey is PNNGZISXBRFXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6S/c23-12-16-10-17(14-24-13-16)19-11-21-20(15-25-19)26-22(29-21)28-8-4-18(5-9-28)27-6-2-1-3-7-27/h10-11,13-15,18H,1-9H2.
What are the key properties of 5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile?
5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyridine-3-carbonitrile has a molecular weight of 404.54 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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]pyridine-3-carbonitrile is sourced from PubChem (CID 45482693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).