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

C21H24FN5S — CID 45482685

IUPAC6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1
InChIInChI=1S/C21H24FN5S/c22-19-13-15(4-7-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-5-17(6-11-27)26-8-2-1-3-9-26/h4,7,12-14,17H,1-3,5-6,8-11H2
InChIKeyOJFKDXVECGWNTB-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-b]pyridine

6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 45482685) 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-b]pyridine.

Molecular Properties

Compound Name6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID45482685
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-b]pyridine
SMILESFc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1
InChIInChI=1S/C21H24FN5S/c22-19-13-15(4-7-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-5-17(6-11-27)26-8-2-1-3-9-26/h4,7,12-14,17H,1-3,5-6,8-11H2
InChIKeyOJFKDXVECGWNTB-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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Related Compounds

2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridine
CID 45482707
2-(1,4''-Bipiperidin-1''-yl)-6-(6-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482756
4-(4-Methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2100253
6-Benzyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 45275716
2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482680
2-(1,4''-Bipiperidin-1''-yl)-6-(2-fluoropyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482686
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482687
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)pyridin-2-ol
CID 45482688
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)pyridin-2-amine
CID 45482705
4-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)benzonitrile
CID 45482708
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-c]pyridine
CID 45482709
5-(2-(1,4''-Bipiperidin-1''-yl)thiazolo[4,5-b]pyridin-6-yl)-2-fluorobenzonitrile
CID 45482713

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-b]pyridine?
The IUPAC name of 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 45482685) is 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine is Fc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1.
What is the InChIKey of 6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is OJFKDXVECGWNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5S/c22-19-13-15(4-7-23-19)16-12-18-20(24-14-16)25-21(28-18)27-10-5-17(6-11-27)26-8-2-1-3-9-26/h4,7,12-14,17H,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-b]pyridine?
6-(2-fluoro-4-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]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-b]pyridine is sourced from PubChem (CID 45482685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).