2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one

C25H26N2O3 — CID 156820786

IUPAC2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one
SMILESCc1cccc(OCC(c2ccc(OC(C)C)cc2)N2Cc3ccccc3C2=O)n1
InChIInChI=1S/C25H26N2O3/c1-17(2)30-21-13-11-19(12-14-21)23(16-29-24-10-6-7-18(3)26-24)27-15-20-8-4-5-9-22(20)25(27)28/h4-14,17,23H,15-16H2,1-3H3
InChIKeyUTQXMPJOMUSIPK-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.95
Rot. Bonds7

About 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one

2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one (PubChem CID 156820786) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one
PubChem CID156820786
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one
SMILESCc1cccc(OCC(c2ccc(OC(C)C)cc2)N2Cc3ccccc3C2=O)n1
InChIInChI=1S/C25H26N2O3/c1-17(2)30-21-13-11-19(12-14-21)23(16-29-24-10-6-7-18(3)26-24)27-15-20-8-4-5-9-22(20)25(27)28/h4-14,17,23H,15-16H2,1-3H3
InChIKeyUTQXMPJOMUSIPK-UHFFFAOYSA-N
XLogP4.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one 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 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one?
The IUPAC name of 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one (CID 156820786) is 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one is Cc1cccc(OCC(c2ccc(OC(C)C)cc2)N2Cc3ccccc3C2=O)n1.
What is the InChIKey of 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one?
The InChIKey is UTQXMPJOMUSIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17(2)30-21-13-11-19(12-14-21)23(16-29-24-10-6-7-18(3)26-24)27-15-20-8-4-5-9-22(20)25(27)28/h4-14,17,23H,15-16H2,1-3H3.
What are the key properties of 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one?
2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one has a molecular weight of 402.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-2-pyridinyl)oxy]-1-(4-propan-2-yloxyphenyl)ethyl]-3H-isoindol-1-one is sourced from PubChem (CID 156820786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).