3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C25H26N2O2 — CID 11383610

IUPAC3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc2occ(CC(C)N3CC=C(c4c[nH]c5ccccc45)CC3)c2c1
InChIInChI=1S/C25H26N2O2/c1-17(13-19-16-29-25-8-7-20(28-2)14-22(19)25)27-11-9-18(10-12-27)23-15-26-24-6-4-3-5-21(23)24/h3-9,14-17,26H,10-13H2,1-2H3
InChIKeyZNNCXEBORBXFCJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.64
Rot. Bonds5

About 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 11383610) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID11383610
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc2occ(CC(C)N3CC=C(c4c[nH]c5ccccc45)CC3)c2c1
InChIInChI=1S/C25H26N2O2/c1-17(13-19-16-29-25-8-7-20(28-2)14-22(19)25)27-11-9-18(10-12-27)23-15-26-24-6-4-3-5-21(23)24/h3-9,14-17,26H,10-13H2,1-2H3
InChIKeyZNNCXEBORBXFCJ-UHFFFAOYSA-N
XLogP5.64
TPSA41.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-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-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 11383610) is 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1ccc2occ(CC(C)N3CC=C(c4c[nH]c5ccccc45)CC3)c2c1.
What is the InChIKey of 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is ZNNCXEBORBXFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-17(13-19-16-29-25-8-7-20(28-2)14-22(19)25)27-11-9-18(10-12-27)23-15-26-24-6-4-3-5-21(23)24/h3-9,14-17,26H,10-13H2,1-2H3.
What are the key properties of 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 386.50 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(5-methoxy-1-benzofuran-3-yl)propan-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 11383610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).