3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole

C23H22F4N6O2S — CID 131985274

IUPAC3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(Oc3nc4ccc(-c5ccnc(F)c5)nc4s3)C(F)(F)F)CC2)n1
InChIInChI=1S/C23H22F4N6O2S/c1-12(2)19-31-21(35-32-19)33-9-6-13(7-10-33)18(23(25,26)27)34-22-30-16-4-3-15(29-20(16)36-22)14-5-8-28-17(24)11-14/h3-5,8,11-13,18H,6-7,9-10H2,1-2H3
InChIKeyYXYLLSYUFJLNIQ-UHFFFAOYSA-N
MW522.53 g/mol
LogP5.63
Rot. Bonds6

About 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole

3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 131985274) has the molecular formula C23H22F4N6O2S and a molecular weight of 522.53 g/mol. Its IUPAC name is 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID131985274
Molecular FormulaC23H22F4N6O2S
Molecular Weight522.53 g/mol
Exact Mass522.15
IUPAC Name3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(C(Oc3nc4ccc(-c5ccnc(F)c5)nc4s3)C(F)(F)F)CC2)n1
InChIInChI=1S/C23H22F4N6O2S/c1-12(2)19-31-21(35-32-19)33-9-6-13(7-10-33)18(23(25,26)27)34-22-30-16-4-3-15(29-20(16)36-22)14-5-8-28-17(24)11-14/h3-5,8,11-13,18H,6-7,9-10H2,1-2H3
InChIKeyYXYLLSYUFJLNIQ-UHFFFAOYSA-N
XLogP5.63
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.53
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 131985274) is 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(C(Oc3nc4ccc(-c5ccnc(F)c5)nc4s3)C(F)(F)F)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is YXYLLSYUFJLNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N6O2S/c1-12(2)19-31-21(35-32-19)33-9-6-13(7-10-33)18(23(25,26)27)34-22-30-16-4-3-15(29-20(16)36-22)14-5-8-28-17(24)11-14/h3-5,8,11-13,18H,6-7,9-10H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 522.53 g/mol, XLogP of 5.63, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[4-[2,2,2-trifluoro-1-[[5-(2-fluoro-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 131985274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).