5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

C18H13FN4O2 — CID 53186734

IUPAC5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12
InChIInChI=1S/C18H13FN4O2/c19-13-4-1-11(2-5-13)10-22-16-9-12(17(20)24)3-6-14(16)23-15(18(22)25)7-8-21-23/h1-9H,10H2,(H2,20,24)
InChIKeyJIEFXEMWFUQEHX-UHFFFAOYSA-N
MW336.33 g/mol
LogP1.94
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide

5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186734) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
PubChem CID53186734
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12
InChIInChI=1S/C18H13FN4O2/c19-13-4-1-11(2-5-13)10-22-16-9-12(17(20)24)3-6-14(16)23-15(18(22)25)7-8-21-23/h1-9H,10H2,(H2,20,24)
InChIKeyJIEFXEMWFUQEHX-UHFFFAOYSA-N
XLogP1.94
TPSA82.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 53186731
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
5-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186561
5-ethyl-N-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186590
5-[(4-methoxyphenyl)methyl]-4-oxo-N-phenylpyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903365
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-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186637
5-[(4-methoxyphenyl)methyl]-N-(2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903366
5-benzyl-4-oxo-N-(3-pyrazol-1-ylpropyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186681
5-ethyl-N-(5-fluoro-2-methylphenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186610
5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 91903265

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186734) is 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is NC(=O)c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
The InChIKey is JIEFXEMWFUQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c19-13-4-1-11(2-5-13)10-22-16-9-12(17(20)24)3-6-14(16)23-15(18(22)25)7-8-21-23/h1-9H,10H2,(H2,20,24).
What are the key properties of 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide?
5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 336.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).