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

C23H26N6O2S — CID 131985336

IUPAC3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)Oc3nc4ccc(-c5ccncc5)nc4s3)CC2)n1
InChIInChI=1S/C23H26N6O2S/c1-14(2)20-27-22(31-28-20)29-12-8-16(9-13-29)15(3)30-23-26-19-5-4-18(25-21(19)32-23)17-6-10-24-11-7-17/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3/t15-/m0/s1
InChIKeyLSIDAJOCIBRQBJ-HNNXBMFYSA-N
MW450.57 g/mol
LogP4.94
Rot. Bonds6

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

3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 131985336) has the molecular formula C23H26N6O2S and a molecular weight of 450.57 g/mol. Its IUPAC name is 3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[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-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID131985336
Molecular FormulaC23H26N6O2S
Molecular Weight450.57 g/mol
Exact Mass450.18
IUPAC Name3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC([C@H](C)Oc3nc4ccc(-c5ccncc5)nc4s3)CC2)n1
InChIInChI=1S/C23H26N6O2S/c1-14(2)20-27-22(31-28-20)29-12-8-16(9-13-29)15(3)30-23-26-19-5-4-18(25-21(19)32-23)17-6-10-24-11-7-17/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3/t15-/m0/s1
InChIKeyLSIDAJOCIBRQBJ-HNNXBMFYSA-N
XLogP4.94
TPSA90.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[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-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole (CID 131985336) is 3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[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-[(1S)-1-[(5-pyridin-4-yl-[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-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is CC(C)c1noc(N2CCC([C@H](C)Oc3nc4ccc(-c5ccncc5)nc4s3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is LSIDAJOCIBRQBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H26N6O2S/c1-14(2)20-27-22(31-28-20)29-12-8-16(9-13-29)15(3)30-23-26-19-5-4-18(25-21(19)32-23)17-6-10-24-11-7-17/h4-7,10-11,14-16H,8-9,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[4-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 450.57 g/mol, XLogP of 4.94, 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-[(1S)-1-[(5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 131985336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).