3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole

C25H26N2O — CID 11268718

IUPAC3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole
SMILESCCc1cccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c12
InChIInChI=1S/C25H26N2O/c1-2-18-6-5-8-22-23(16-26-25(18)22)19-10-13-27(14-11-19)15-12-20-17-28-24-9-4-3-7-21(20)24/h3-10,16-17,26H,2,11-15H2,1H3
InChIKeyRPSQOMYJVGUUOS-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.81
Rot. Bonds5

About 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole

3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole (PubChem CID 11268718) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole
PubChem CID11268718
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole
SMILESCCc1cccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c12
InChIInChI=1S/C25H26N2O/c1-2-18-6-5-8-22-23(16-26-25(18)22)19-10-13-27(14-11-19)15-12-20-17-28-24-9-4-3-7-21(20)24/h3-10,16-17,26H,2,11-15H2,1H3
InChIKeyRPSQOMYJVGUUOS-UHFFFAOYSA-N
XLogP5.81
TPSA32.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole 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 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole?
The IUPAC name of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole (CID 11268718) is 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole.
What is the SMILES notation for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole?
The canonical SMILES for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole is CCc1cccc2c(C3=CCN(CCc4coc5ccccc45)CC3)c[nH]c12.
What is the InChIKey of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole?
The InChIKey is RPSQOMYJVGUUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-2-18-6-5-8-22-23(16-26-25(18)22)19-10-13-27(14-11-19)15-12-20-17-28-24-9-4-3-7-21(20)24/h3-10,16-17,26H,2,11-15H2,1H3.
What are the key properties of 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole?
3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole has a molecular weight of 370.50 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-7-ethyl-1H-indole is sourced from PubChem (CID 11268718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).