3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole

C25H26N2O2 — CID 20744877

IUPAC3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole
SMILESCC1=NCc2ccc(-c3cncc(OCC(C)COCc4ccccc4)c3)cc21
InChIInChI=1S/C25H26N2O2/c1-18(15-28-17-20-6-4-3-5-7-20)16-29-24-10-23(12-26-14-24)21-8-9-22-13-27-19(2)25(22)11-21/h3-12,14,18H,13,15-17H2,1-2H3
InChIKeyFECFNFMXBBZTAL-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.30
Rot. Bonds8

About 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole

3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole (PubChem CID 20744877) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole.

Molecular Properties

Compound Name3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole
PubChem CID20744877
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole
SMILESCC1=NCc2ccc(-c3cncc(OCC(C)COCc4ccccc4)c3)cc21
InChIInChI=1S/C25H26N2O2/c1-18(15-28-17-20-6-4-3-5-7-20)16-29-24-10-23(12-26-14-24)21-8-9-22-13-27-19(2)25(22)11-21/h3-12,14,18H,13,15-17H2,1-2H3
InChIKeyFECFNFMXBBZTAL-UHFFFAOYSA-N
XLogP5.30
TPSA43.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole?
The IUPAC name of 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole (CID 20744877) is 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole.
What is the SMILES notation for 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole?
The canonical SMILES for 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole is CC1=NCc2ccc(-c3cncc(OCC(C)COCc4ccccc4)c3)cc21.
What is the InChIKey of 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole?
The InChIKey is FECFNFMXBBZTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(15-28-17-20-6-4-3-5-7-20)16-29-24-10-23(12-26-14-24)21-8-9-22-13-27-19(2)25(22)11-21/h3-12,14,18H,13,15-17H2,1-2H3.
What are the key properties of 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole?
3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole has a molecular weight of 386.50 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(2-methyl-3-phenylmethoxypropoxy)-3-pyridinyl]-1H-isoindole is sourced from PubChem (CID 20744877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).