8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine

C27H24N2O — CID 169055491

IUPAC8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2nccc3c(C4CCCC4)cccc23)c2oc3nc(C)ccc3c2c1
InChIInChI=1S/C27H24N2O/c1-16-14-23-22-11-10-17(2)29-27(22)30-26(23)24(15-16)25-21-9-5-8-19(18-6-3-4-7-18)20(21)12-13-28-25/h5,8-15,18H,3-4,6-7H2,1-2H3
InChIKeyLTWLWMORDIKUGC-UHFFFAOYSA-N
MW392.50 g/mol
LogP7.47
Rot. Bonds2

About 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine

8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine (PubChem CID 169055491) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
PubChem CID169055491
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
SMILESCc1cc(-c2nccc3c(C4CCCC4)cccc23)c2oc3nc(C)ccc3c2c1
InChIInChI=1S/C27H24N2O/c1-16-14-23-22-11-10-17(2)29-27(22)30-26(23)24(15-16)25-21-9-5-8-19(18-6-3-4-7-18)20(21)12-13-28-25/h5,8-15,18H,3-4,6-7H2,1-2H3
InChIKeyLTWLWMORDIKUGC-UHFFFAOYSA-N
XLogP7.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[6-(3,3-dimethylcyclopentyl)-4-methylisoquinolin-1-yl]-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 169055462
2-cyclopentyl-8-(4-methyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791495
2,6-dimethyl-8-[4-methyl-5-(2-methylpropyl)isoquinolin-1-yl]-[1]benzofuro[2,3-b]pyridine
CID 169055476
4-cyclohexyl-7-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683606
5-cyclohexyl-4-fluoro-1-(2-methyldibenzofuran-4-yl)isoquinoline
CID 170683640
8-[2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridin-7-yl]-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 153444925
2-methyl-8-[4-(4-phenylnaphthalen-1-yl)-2-pyridinyl]-[1]benzofuro[2,3-b]pyridine
CID 176778940
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
6-cyclopentyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258283
2-cyclopentyl-8-(4,5-dimethyl-2-pyridinyl)-[1]benzofuro[2,3-b]pyridine
CID 140791331
8-(4-benzyl-2-pyridinyl)-2-methyl-[1]benzofuro[2,3-b]pyridine
CID 162707390
6-cyclohexyl-1-(5-methyl-1-benzofuran-7-yl)isoquinoline
CID 167258297

Frequently Asked Questions

What is the IUPAC name of 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine (CID 169055491) is 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine is Cc1cc(-c2nccc3c(C4CCCC4)cccc23)c2oc3nc(C)ccc3c2c1.
What is the InChIKey of 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is LTWLWMORDIKUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-16-14-23-22-11-10-17(2)29-27(22)30-26(23)24(15-16)25-21-9-5-8-19(18-6-3-4-7-18)20(21)12-13-28-25/h5,8-15,18H,3-4,6-7H2,1-2H3.
What are the key properties of 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine?
8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 392.50 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-cyclopentylisoquinolin-1-yl)-2,6-dimethyl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 169055491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).