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

C24H28N6O2S — CID 131985192

IUPAC5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)ccn1
InChIInChI=1S/C24H28N6O2S/c1-14(2)21-28-23(32-29-21)30-11-8-17(9-12-30)16(4)31-24-27-20-6-5-19(26-22(20)33-24)18-7-10-25-15(3)13-18/h5-7,10,13-14,16-17H,8-9,11-12H2,1-4H3
InChIKeyVUZBPPCVXJSPNM-UHFFFAOYSA-N
MW464.60 g/mol
LogP5.25
Rot. Bonds6

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

5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 131985192) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID131985192
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)ccn1
InChIInChI=1S/C24H28N6O2S/c1-14(2)21-28-23(32-29-21)30-11-8-17(9-12-30)16(4)31-24-27-20-6-5-19(26-22(20)33-24)18-7-10-25-15(3)13-18/h5-7,10,13-14,16-17H,8-9,11-12H2,1-4H3
InChIKeyVUZBPPCVXJSPNM-UHFFFAOYSA-N
XLogP5.25
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.60
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 131985192) is 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1cc(-c2ccc3nc(OC(C)C4CCN(c5nc(C(C)C)no5)CC4)sc3n2)ccn1.
What is the InChIKey of 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is VUZBPPCVXJSPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-14(2)21-28-23(32-29-21)30-11-8-17(9-12-30)16(4)31-24-27-20-6-5-19(26-22(20)33-24)18-7-10-25-15(3)13-18/h5-7,10,13-14,16-17H,8-9,11-12H2,1-4H3.
What are the key properties of 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 464.60 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[[5-(2-methyl-4-pyridinyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 131985192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).