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

C23H22FN5O2 — CID 53186637

IUPAC5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
SMILESCCn1c(=O)c2ccnn2c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C23H22FN5O2/c1-2-28-21-15-16(3-8-19(21)29-20(23(28)31)9-10-25-29)22(30)27-13-11-26(12-14-27)18-6-4-17(24)5-7-18/h3-10,15H,2,11-14H2,1H3
InChIKeyFFVNXJUTTICYLL-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.77
Rot. Bonds3

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

5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one (PubChem CID 53186637) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
PubChem CID53186637
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
SMILESCCn1c(=O)c2ccnn2c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C23H22FN5O2/c1-2-28-21-15-16(3-8-19(21)29-20(23(28)31)9-10-25-29)22(30)27-13-11-26(12-14-27)18-6-4-17(24)5-7-18/h3-10,15H,2,11-14H2,1H3
InChIKeyFFVNXJUTTICYLL-UHFFFAOYSA-N
XLogP2.77
TPSA62.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-fluorophenyl)methyl]-7-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 53186731
5-ethyl-N-methyl-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186577
5-benzyl-7-(4-butylpiperazine-1-carbonyl)pyrazolo[1,5-a]quinoxalin-4-one
CID 91903264
5-benzyl-7-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one
CID 91903265
3-ethyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-benzoxazol-2-one
CID 53067148
5-[(4-fluorophenyl)methyl]-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186734
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
3-ethyl-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 39640964
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
5-ethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]thieno[3,2-c]quinolin-4-one
CID 20865318
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(piperidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 46329741
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one (CID 53186637) is 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one is CCn1c(=O)c2ccnn2c2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc21.
What is the InChIKey of 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
The InChIKey is FFVNXJUTTICYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-2-28-21-15-16(3-8-19(21)29-20(23(28)31)9-10-25-29)22(30)27-13-11-26(12-14-27)18-6-4-17(24)5-7-18/h3-10,15H,2,11-14H2,1H3.
What are the key properties of 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one?
5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one has a molecular weight of 419.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 53186637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).