1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one

C23H26N4O2S — CID 57448276

IUPAC1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C23H26N4O2S/c28-21-4-2-13-27(21)18-10-15-26(16-11-18)14-9-17-5-7-19(8-6-17)29-23-25-22-20(30-23)3-1-12-24-22/h1,3,5-8,12,18H,2,4,9-11,13-16H2
InChIKeyXLUUDYWBFNRFSF-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.11
Rot. Bonds6

About 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 57448276) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID57448276
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1
InChIInChI=1S/C23H26N4O2S/c28-21-4-2-13-27(21)18-10-15-26(16-11-18)14-9-17-5-7-19(8-6-17)29-23-25-22-20(30-23)3-1-12-24-22/h1,3,5-8,12,18H,2,4,9-11,13-16H2
InChIKeyXLUUDYWBFNRFSF-UHFFFAOYSA-N
XLogP4.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one (CID 57448276) is 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ncccc4s3)cc2)CC1.
What is the InChIKey of 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is XLUUDYWBFNRFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c28-21-4-2-13-27(21)18-10-15-26(16-11-18)14-9-17-5-7-19(8-6-17)29-23-25-22-20(30-23)3-1-12-24-22/h1,3,5-8,12,18H,2,4,9-11,13-16H2.
What are the key properties of 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 422.55 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)phenyl]ethyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 57448276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).