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

C28H23N5O5 — CID 5280208

IUPAC1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
SMILESCOc1cnc(-c2cc3ccncc3o2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C28H23N5O5/c1-37-22-16-31-24(20-13-18-7-8-29-15-21(18)38-20)25-23(22)19(14-30-25)26(34)28(36)33-11-9-32(10-12-33)27(35)17-5-3-2-4-6-17/h2-8,13-16,30H,9-12H2,1H3
InChIKeyYWWLVMPHLIMGDP-UHFFFAOYSA-N
MW509.52 g/mol
LogP3.55
Rot. Bonds5

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

1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (PubChem CID 5280208) has the molecular formula C28H23N5O5 and a molecular weight of 509.52 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
PubChem CID5280208
Molecular FormulaC28H23N5O5
Molecular Weight509.52 g/mol
Exact Mass509.17
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
SMILESCOc1cnc(-c2cc3ccncc3o2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C28H23N5O5/c1-37-22-16-31-24(20-13-18-7-8-29-15-21(18)38-20)25-23(22)19(14-30-25)26(34)28(36)33-11-9-32(10-12-33)27(35)17-5-3-2-4-6-17/h2-8,13-16,30H,9-12H2,1H3
InChIKeyYWWLVMPHLIMGDP-UHFFFAOYSA-N
XLogP3.55
TPSA121.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (CID 5280208) is 1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-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-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione is COc1cnc(-c2cc3ccncc3o2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione?
The InChIKey is YWWLVMPHLIMGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O5/c1-37-22-16-31-24(20-13-18-7-8-29-15-21(18)38-20)25-23(22)19(14-30-25)26(34)28(36)33-11-9-32(10-12-33)27(35)17-5-3-2-4-6-17/h2-8,13-16,30H,9-12H2,1H3.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione?
1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione has a molecular weight of 509.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-(7-furo[2,3-c]pyridin-2-yl-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione is sourced from PubChem (CID 5280208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).