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

C23H24FN5S — CID 45482713

IUPAC2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccc1F
InChIInChI=1S/C23H24FN5S/c24-20-5-4-16(12-17(20)14-25)18-13-21-22(26-15-18)27-23(30-21)29-10-6-19(7-11-29)28-8-2-1-3-9-28/h4-5,12-13,15,19H,1-3,6-11H2
InChIKeyKPJNSSGIUKWMPK-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.82
Rot. Bonds3

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

2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile (PubChem CID 45482713) has the molecular formula C23H24FN5S and a molecular weight of 421.55 g/mol. Its IUPAC name is 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile
PubChem CID45482713
Molecular FormulaC23H24FN5S
Molecular Weight421.55 g/mol
Exact Mass421.17
IUPAC Name2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile
SMILESN#Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccc1F
InChIInChI=1S/C23H24FN5S/c24-20-5-4-16(12-17(20)14-25)18-13-21-22(26-15-18)27-23(30-21)29-10-6-19(7-11-29)28-8-2-1-3-9-28/h4-5,12-13,15,19H,1-3,6-11H2
InChIKeyKPJNSSGIUKWMPK-UHFFFAOYSA-N
XLogP4.82
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile?
The IUPAC name of 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile (CID 45482713) is 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile is N#Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccc1F.
What is the InChIKey of 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile?
The InChIKey is KPJNSSGIUKWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5S/c24-20-5-4-16(12-17(20)14-25)18-13-21-22(26-15-18)27-23(30-21)29-10-6-19(7-11-29)28-8-2-1-3-9-28/h4-5,12-13,15,19H,1-3,6-11H2.
What are the key properties of 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile?
2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile has a molecular weight of 421.55 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 45482713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).