1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

C26H24N6O4 — CID 5280184

IUPAC1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
SMILESCOc1cnc(-c2cccc(N)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C26H24N6O4/c1-36-19-15-29-22(18-8-5-9-20(27)30-18)23-21(19)17(14-28-23)24(33)26(35)32-12-10-31(11-13-32)25(34)16-6-3-2-4-7-16/h2-9,14-15,28H,10-13H2,1H3,(H2,27,30)
InChIKeyUFJZFRZBLXMPSG-UHFFFAOYSA-N
MW484.52 g/mol
LogP2.38
Rot. Bonds5

About 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione (PubChem CID 5280184) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
PubChem CID5280184
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
SMILESCOc1cnc(-c2cccc(N)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12
InChIInChI=1S/C26H24N6O4/c1-36-19-15-29-22(18-8-5-9-20(27)30-18)23-21(19)17(14-28-23)24(33)26(35)32-12-10-31(11-13-32)25(34)16-6-3-2-4-7-16/h2-9,14-15,28H,10-13H2,1H3,(H2,27,30)
InChIKeyUFJZFRZBLXMPSG-UHFFFAOYSA-N
XLogP2.38
TPSA134.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione with MolForge

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Related Compounds

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1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280148
1-[7-(5-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280149
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280154
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280158
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280161
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280162
1-[7-(6-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280166
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-pyridyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280172

Frequently Asked Questions

What is the IUPAC name of 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione (CID 5280184) is 1-[7-(6-amino-2-pyridinyl)-4-methoxy-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-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione is COc1cnc(-c2cccc(N)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12.
What is the InChIKey of 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
The InChIKey is UFJZFRZBLXMPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-36-19-15-29-22(18-8-5-9-20(27)30-18)23-21(19)17(14-28-23)24(33)26(35)32-12-10-31(11-13-32)25(34)16-6-3-2-4-7-16/h2-9,14-15,28H,10-13H2,1H3,(H2,27,30).
What are the key properties of 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione?
1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione has a molecular weight of 484.52 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(6-amino-2-pyridinyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 5280184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).