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

C21H24FN5S — CID 45482770

IUPAC6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccn1
InChIInChI=1S/C21H24FN5S/c22-20-12-15(4-7-23-20)17-13-19-18(14-24-17)25-21(28-19)27-10-5-16(6-11-27)26-8-2-1-3-9-26/h4,7,12-14,16H,1-3,5-6,8-11H2
InChIKeyYPJIUKHOWACRQW-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.35
Rot. Bonds3

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

6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (PubChem CID 45482770) has the molecular formula C21H24FN5S and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
PubChem CID45482770
Molecular FormulaC21H24FN5S
Molecular Weight397.52 g/mol
Exact Mass397.17
IUPAC Name6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine
SMILESFc1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccn1
InChIInChI=1S/C21H24FN5S/c22-20-12-15(4-7-23-20)17-13-19-18(14-24-17)25-21(28-19)27-10-5-16(6-11-27)26-8-2-1-3-9-26/h4,7,12-14,16H,1-3,5-6,8-11H2
InChIKeyYPJIUKHOWACRQW-UHFFFAOYSA-N
XLogP4.35
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine (CID 45482770) is 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is Fc1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccn1.
What is the InChIKey of 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is YPJIUKHOWACRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5S/c22-20-12-15(4-7-23-20)17-13-19-18(14-24-17)25-21(28-19)27-10-5-16(6-11-27)26-8-2-1-3-9-26/h4,7,12-14,16H,1-3,5-6,8-11H2.
What are the key properties of 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine?
6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 397.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 45482770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).