5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide

C24H22N6O2 — CID 53186681

IUPAC5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12
InChIInChI=1S/C24H22N6O2/c31-23(25-11-4-14-28-15-5-12-26-28)19-8-9-20-22(16-19)29(17-18-6-2-1-3-7-18)24(32)21-10-13-27-30(20)21/h1-3,5-10,12-13,15-16H,4,11,14,17H2,(H,25,31)
InChIKeyBWLSWOTVLOXXJR-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.71
Rot. Bonds7

About 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide

5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186681) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186681
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESO=C(NCCCn1cccn1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12
InChIInChI=1S/C24H22N6O2/c31-23(25-11-4-14-28-15-5-12-26-28)19-8-9-20-22(16-19)29(17-18-6-2-1-3-7-18)24(32)21-10-13-27-30(20)21/h1-3,5-10,12-13,15-16H,4,11,14,17H2,(H,25,31)
InChIKeyBWLSWOTVLOXXJR-UHFFFAOYSA-N
XLogP2.71
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903225
5-ethyl-4-oxo-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186625
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
N-[(3-chlorophenyl)methyl]-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186622
5-benzyl-7-(4-butylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 91903264
5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 171352839
5-ethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186584
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365
N-[3-(dimethylamino)propyl]-5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186461
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577
5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186706

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186681) is 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide is O=C(NCCCn1cccn1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12.
What is the InChIKey of 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is BWLSWOTVLOXXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-23(25-11-4-14-28-15-5-12-26-28)19-8-9-20-22(16-19)29(17-18-6-2-1-3-7-18)24(32)21-10-13-27-30(20)21/h1-3,5-10,12-13,15-16H,4,11,14,17H2,(H,25,31).
What are the key properties of 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).