5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide

C25H21N5O4S — CID 171352839

IUPAC5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)NCc4cccnc4)cc32)cc1
InChIInChI=1S/C25H21N5O4S/c1-35(33,34)20-7-4-17(5-8-20)16-29-23-13-19(24(31)27-15-18-3-2-11-26-14-18)6-9-21(23)30-22(25(29)32)10-12-28-30/h2-14H,15-16H2,1H3,(H,27,31)
InChIKeyYAKFATQHVIOZEJ-UHFFFAOYSA-N
MW487.54 g/mol
LogP2.43
Rot. Bonds6

About 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide

5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 171352839) has the molecular formula C25H21N5O4S and a molecular weight of 487.54 g/mol. Its IUPAC name is 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID171352839
Molecular FormulaC25H21N5O4S
Molecular Weight487.54 g/mol
Exact Mass487.13
IUPAC Name5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)NCc4cccnc4)cc32)cc1
InChIInChI=1S/C25H21N5O4S/c1-35(33,34)20-7-4-17(5-8-20)16-29-23-13-19(24(31)27-15-18-3-2-11-26-14-18)6-9-21(23)30-22(25(29)32)10-12-28-30/h2-14H,15-16H2,1H3,(H,27,31)
InChIKeyYAKFATQHVIOZEJ-UHFFFAOYSA-N
XLogP2.43
TPSA115.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-N-[(6-methyl-3-pyridinyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 171345117
5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186706
5-ethyl-4-oxo-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186625
5-benzyl-N-(2-methoxyethyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186672
N-[(3-chlorophenyl)methyl]-5-ethyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186622
5-ethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186584
5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186681
5-benzyl-N-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903225
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903366

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 171352839) is 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide is CS(=O)(=O)c1ccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)NCc4cccnc4)cc32)cc1.
What is the InChIKey of 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is YAKFATQHVIOZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4S/c1-35(33,34)20-7-4-17(5-8-20)16-29-23-13-19(24(31)27-15-18-3-2-11-26-14-18)6-9-21(23)30-22(25(29)32)10-12-28-30/h2-14H,15-16H2,1H3,(H,27,31).
What are the key properties of 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylsulfonylphenyl)methyl]-4-oxo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 171352839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).