5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one

C22H19FN4O2 — CID 53186731

IUPAC5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
SMILESO=C(c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12)N1CCCC1
InChIInChI=1S/C22H19FN4O2/c23-17-6-3-15(4-7-17)14-26-20-13-16(21(28)25-11-1-2-12-25)5-8-18(20)27-19(22(26)29)9-10-24-27/h3-10,13H,1-2,11-12,14H2
InChIKeyMDGBMIRBAUNTCW-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.07
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one

5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one (PubChem CID 53186731) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
PubChem CID53186731
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
SMILESO=C(c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12)N1CCCC1
InChIInChI=1S/C22H19FN4O2/c23-17-6-3-15(4-7-17)14-26-20-13-16(21(28)25-11-1-2-12-25)5-8-18(20)27-19(22(26)29)9-10-24-27/h3-10,13H,1-2,11-12,14H2
InChIKeyMDGBMIRBAUNTCW-UHFFFAOYSA-N
XLogP3.07
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186734
5-[(4-fluorophenyl)methyl]-4-oxo-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 91903292
5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186637
5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 91903265
5-benzyl-7-(4-butylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 91903264
[3-[(4-fluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598874
5-methyl-7-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 53186536
(3,4-dichlorophenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23879138
azepan-1-yl-[4-[[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone
CID 20891272
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
1-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-ethylquinoxaline-2,3-dione
CID 46375719
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one (CID 53186731) is 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one is O=C(c1ccc2c(c1)n(Cc1ccc(F)cc1)c(=O)c1ccnn12)N1CCCC1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is MDGBMIRBAUNTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-17-6-3-15(4-7-17)14-26-20-13-16(21(28)25-11-1-2-12-25)5-8-18(20)27-19(22(26)29)9-10-24-27/h3-10,13H,1-2,11-12,14H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one?
5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 390.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 53186731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).