1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione

C20H18N4O3 — CID 155524838

IUPAC1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnn2ccccc12
InChIInChI=1S/C20H18N4O3/c25-18(16-14-21-24-9-5-4-8-17(16)24)20(27)23-12-10-22(11-13-23)19(26)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeyUQQWRCVAJLQGAX-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.50
Rot. Bonds3

About 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione

1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione (PubChem CID 155524838) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione
PubChem CID155524838
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnn2ccccc12
InChIInChI=1S/C20H18N4O3/c25-18(16-14-21-24-9-5-4-8-17(16)24)20(27)23-12-10-22(11-13-23)19(26)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeyUQQWRCVAJLQGAX-UHFFFAOYSA-N
XLogP1.50
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.50
H-Bond Donors ≤ 50
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-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione?
The IUPAC name of 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione (CID 155524838) is 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione.
What is the SMILES notation for 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione?
The canonical SMILES for 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1cnn2ccccc12.
What is the InChIKey of 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione?
The InChIKey is UQQWRCVAJLQGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-18(16-14-21-24-9-5-4-8-17(16)24)20(27)23-12-10-22(11-13-23)19(26)15-6-2-1-3-7-15/h1-9,14H,10-13H2.
What are the key properties of 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione?
1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione has a molecular weight of 362.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperazin-1-yl)-2-pyrazolo[1,5-a]pyridin-3-ylethane-1,2-dione is sourced from PubChem (CID 155524838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).