[6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

C26H31N3O3 — CID 22274472

IUPAC[6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C26H31N3O3/c30-26(29-13-15-31-16-14-29)21-5-7-24(27-19-21)20-6-8-25-22(17-20)18-23(32-25)9-12-28-10-3-1-2-4-11-28/h5-8,17-19H,1-4,9-16H2
InChIKeyRPBNYUHYVUUVSR-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.39
Rot. Bonds5

About [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone

[6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 22274472) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID22274472
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name[6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)nc1)N1CCOCC1
InChIInChI=1S/C26H31N3O3/c30-26(29-13-15-31-16-14-29)21-5-7-24(27-19-21)20-6-8-25-22(17-20)18-23(32-25)9-12-28-10-3-1-2-4-11-28/h5-8,17-19H,1-4,9-16H2
InChIKeyRPBNYUHYVUUVSR-UHFFFAOYSA-N
XLogP4.39
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone 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 [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone (CID 22274472) is [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3oc(CCN4CCCCCC4)cc3c2)nc1)N1CCOCC1.
What is the InChIKey of [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is RPBNYUHYVUUVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c30-26(29-13-15-31-16-14-29)21-5-7-24(27-19-21)20-6-8-25-22(17-20)18-23(32-25)9-12-28-10-3-1-2-4-11-28/h5-8,17-19H,1-4,9-16H2.
What are the key properties of [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone?
[6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 433.55 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-[2-(azepan-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22274472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).