1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

C28H24N4O4 — CID 70899467

IUPAC1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)C1CNc2c1ccnc2-c1cc2ccccc2o1
InChIInChI=1S/C28H24N4O4/c33-26(28(35)32-14-12-31(13-15-32)27(34)18-6-2-1-3-7-18)21-17-30-24-20(21)10-11-29-25(24)23-16-19-8-4-5-9-22(19)36-23/h1-11,16,21,30H,12-15,17H2
InChIKeySLSKNDVDXKDBPT-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.56
Rot. Bonds4

About 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 70899467) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
PubChem CID70899467
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)C1CNc2c1ccnc2-c1cc2ccccc2o1
InChIInChI=1S/C28H24N4O4/c33-26(28(35)32-14-12-31(13-15-32)27(34)18-6-2-1-3-7-18)21-17-30-24-20(21)10-11-29-25(24)23-16-19-8-4-5-9-22(19)36-23/h1-11,16,21,30H,12-15,17H2
InChIKeySLSKNDVDXKDBPT-UHFFFAOYSA-N
XLogP3.56
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione (CID 70899467) is 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)C1CNc2c1ccnc2-c1cc2ccccc2o1.
What is the InChIKey of 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is SLSKNDVDXKDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c33-26(28(35)32-14-12-31(13-15-32)27(34)18-6-2-1-3-7-18)21-17-30-24-20(21)10-11-29-25(24)23-16-19-8-4-5-9-22(19)36-23/h1-11,16,21,30H,12-15,17H2.
What are the key properties of 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 480.52 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-benzofuran-2-yl)-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 70899467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).