2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one

C25H27N5O5 — CID 134478114

IUPAC2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one
SMILESCCOc1ccc(-c2noc(C3CCN(C(=O)CN4Cc5ccccc5C4=O)CC3)n2)nc1OC
InChIInChI=1S/C25H27N5O5/c1-3-34-20-9-8-19(26-24(20)33-2)22-27-23(35-28-22)16-10-12-29(13-11-16)21(31)15-30-14-17-6-4-5-7-18(17)25(30)32/h4-9,16H,3,10-15H2,1-2H3
InChIKeyAUWJFKKSSVQNSI-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.90
Rot. Bonds7

About 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one

2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one (PubChem CID 134478114) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one
PubChem CID134478114
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one
SMILESCCOc1ccc(-c2noc(C3CCN(C(=O)CN4Cc5ccccc5C4=O)CC3)n2)nc1OC
InChIInChI=1S/C25H27N5O5/c1-3-34-20-9-8-19(26-24(20)33-2)22-27-23(35-28-22)16-10-12-29(13-11-16)21(31)15-30-14-17-6-4-5-7-18(17)25(30)32/h4-9,16H,3,10-15H2,1-2H3
InChIKeyAUWJFKKSSVQNSI-UHFFFAOYSA-N
XLogP2.90
TPSA110.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one?
The IUPAC name of 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one (CID 134478114) is 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one is CCOc1ccc(-c2noc(C3CCN(C(=O)CN4Cc5ccccc5C4=O)CC3)n2)nc1OC.
What is the InChIKey of 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one?
The InChIKey is AUWJFKKSSVQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-3-34-20-9-8-19(26-24(20)33-2)22-27-23(35-28-22)16-10-12-29(13-11-16)21(31)15-30-14-17-6-4-5-7-18(17)25(30)32/h4-9,16H,3,10-15H2,1-2H3.
What are the key properties of 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one?
2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one has a molecular weight of 477.52 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-3H-isoindol-1-one is sourced from PubChem (CID 134478114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).