[2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone

C28H25NO4 — CID 19361675

IUPAC[2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2oc(-c3ccccn3)cc2C(=O)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C28H25NO4/c1-31-24-15-14-20(17-26(24)32-21-11-5-6-12-21)28-22(27(30)19-9-3-2-4-10-19)18-25(33-28)23-13-7-8-16-29-23/h2-4,7-10,13-18,21H,5-6,11-12H2,1H3
InChIKeyKKFXCTPIDVEWQJ-UHFFFAOYSA-N
MW439.51 g/mol
LogP6.57
Rot. Bonds7

About [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone

[2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone (PubChem CID 19361675) has the molecular formula C28H25NO4 and a molecular weight of 439.51 g/mol. Its IUPAC name is [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone
PubChem CID19361675
Molecular FormulaC28H25NO4
Molecular Weight439.51 g/mol
Exact Mass439.18
IUPAC Name[2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2oc(-c3ccccn3)cc2C(=O)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C28H25NO4/c1-31-24-15-14-20(17-26(24)32-21-11-5-6-12-21)28-22(27(30)19-9-3-2-4-10-19)18-25(33-28)23-13-7-8-16-29-23/h2-4,7-10,13-18,21H,5-6,11-12H2,1H3
InChIKeyKKFXCTPIDVEWQJ-UHFFFAOYSA-N
XLogP6.57
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.51
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone 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 [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone?
The IUPAC name of [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone (CID 19361675) is [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone.
What is the SMILES notation for [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone?
The canonical SMILES for [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone is COc1ccc(-c2oc(-c3ccccn3)cc2C(=O)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone?
The InChIKey is KKFXCTPIDVEWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO4/c1-31-24-15-14-20(17-26(24)32-21-11-5-6-12-21)28-22(27(30)19-9-3-2-4-10-19)18-25(33-28)23-13-7-8-16-29-23/h2-4,7-10,13-18,21H,5-6,11-12H2,1H3.
What are the key properties of [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone?
[2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone has a molecular weight of 439.51 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopentyloxy-4-methoxyphenyl)-5-pyridin-2-ylfuran-3-yl]-phenylmethanone is sourced from PubChem (CID 19361675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).