5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide

C25H20N4O3 — CID 91903365

IUPAC5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCOc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)Nc4ccccc4)cc32)cc1
InChIInChI=1S/C25H20N4O3/c1-32-20-10-7-17(8-11-20)16-28-23-15-18(24(30)27-19-5-3-2-4-6-19)9-12-21(23)29-22(25(28)31)13-14-26-29/h2-15H,16H2,1H3,(H,27,30)
InChIKeyKYZJQLNCBHJORZ-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.96
Rot. Bonds5

About 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide

5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 91903365) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID91903365
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCOc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)Nc4ccccc4)cc32)cc1
InChIInChI=1S/C25H20N4O3/c1-32-20-10-7-17(8-11-20)16-28-23-15-18(24(30)27-19-5-3-2-4-6-19)9-12-21(23)29-22(25(28)31)13-14-26-29/h2-15H,16H2,1H3,(H,27,30)
InChIKeyKYZJQLNCBHJORZ-UHFFFAOYSA-N
XLogP3.96
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903366
5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903225
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186706
5-ethyl-N-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186590
3-benzyl-N-(4-methoxyphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 53067029
5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186681
5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186734
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186572
N-[(4-methoxyphenyl)methyl]-2-(4-oxopyrazolo[1,5-a]quinoxalin-5-yl)acetamide
CID 101437615
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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 91903365) is 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide is COc1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)Nc4ccccc4)cc32)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is KYZJQLNCBHJORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-32-20-10-7-17(8-11-20)16-28-23-15-18(24(30)27-19-5-3-2-4-6-19)9-12-21(23)29-22(25(28)31)13-14-26-29/h2-15H,16H2,1H3,(H,27,30).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 91903365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).