5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

C24H19FN6O2 — CID 50820905

IUPAC5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)NCc3ccccn3)nn12
InChIInChI=1S/C24H19FN6O2/c1-15-8-9-19-20(11-15)30(14-16-5-4-6-17(25)12-16)24(33)22-28-21(29-31(19)22)23(32)27-13-18-7-2-3-10-26-18/h2-12H,13-14H2,1H3,(H,27,32)
InChIKeyLROWEAMAUWQQIF-UHFFFAOYSA-N
MW442.45 g/mol
LogP2.87
Rot. Bonds5

About 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide

5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (PubChem CID 50820905) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
PubChem CID50820905
Molecular FormulaC24H19FN6O2
Molecular Weight442.45 g/mol
Exact Mass442.16
IUPAC Name5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
SMILESCc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)NCc3ccccn3)nn12
InChIInChI=1S/C24H19FN6O2/c1-15-8-9-19-20(11-15)30(14-16-5-4-6-17(25)12-16)24(33)22-28-21(29-31(19)22)23(32)27-13-18-7-2-3-10-26-18/h2-12H,13-14H2,1H3,(H,27,32)
InChIKeyLROWEAMAUWQQIF-UHFFFAOYSA-N
XLogP2.87
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-pentyl-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46261192
N-(3-fluorophenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50821009
N-(4-ethylphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820994
N-(2,4-dimethoxyphenyl)-5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820980
N-(3-fluorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820609
5-[(4-chlorophenyl)methyl]-7-methyl-N-[(2-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 53039113
5-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 53039112
5-[(3-chlorophenyl)methyl]-N-cycloheptyl-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377750
7-methyl-5-[(2-methylphenyl)methyl]-4-oxo-N-(3-phenylpropyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820842
N-(3-chlorophenyl)-7-methyl-5-[(4-methylphenyl)methyl]-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 50820800
N-(3-acetylphenyl)-5-[(3-chlorophenyl)methyl]-7-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377761
2-(2-fluorophenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-(pyridin-2-ylmethyl)-1,2,4-triazine-6-carboxamide
CID 46003887

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide (CID 50820905) is 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)NCc3ccccn3)nn12.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
The InChIKey is LROWEAMAUWQQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c1-15-8-9-19-20(11-15)30(14-16-5-4-6-17(25)12-16)24(33)22-28-21(29-31(19)22)23(32)27-13-18-7-2-3-10-26-18/h2-12H,13-14H2,1H3,(H,27,32).
What are the key properties of 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide?
5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-7-methyl-4-oxo-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide is sourced from PubChem (CID 50820905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).