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

C24H20N4O4 — CID 5280135

IUPAC1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccco3)nccc12
InChIInChI=1S/C24H20N4O4/c29-22(18-15-26-20-17(18)8-9-25-21(20)19-7-4-14-32-19)24(31)28-12-10-27(11-13-28)23(30)16-5-2-1-3-6-16/h1-9,14-15,26H,10-13H2
InChIKeyZCRAWNBGGUNAIG-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.99
Rot. Bonds4

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

1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (PubChem CID 5280135) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
PubChem CID5280135
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccco3)nccc12
InChIInChI=1S/C24H20N4O4/c29-22(18-15-26-20-17(18)8-9-25-21(20)19-7-4-14-32-19)24(31)28-12-10-27(11-13-28)23(30)16-5-2-1-3-6-16/h1-9,14-15,26H,10-13H2
InChIKeyZCRAWNBGGUNAIG-UHFFFAOYSA-N
XLogP2.99
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione (CID 5280135) is 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccco3)nccc12.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
The InChIKey is ZCRAWNBGGUNAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c29-22(18-15-26-20-17(18)8-9-25-21(20)19-7-4-14-32-19)24(31)28-12-10-27(11-13-28)23(30)16-5-2-1-3-6-16/h1-9,14-15,26H,10-13H2.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione?
1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione has a molecular weight of 428.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-[7-(furan-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione is sourced from PubChem (CID 5280135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).