(3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone

C23H24FN5O — CID 10644977

IUPAC(3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESCC1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)CC(C)N1
InChIInChI=1S/C23H24FN5O/c1-15-11-27(12-16(2)26-15)23(30)28-13-21-22(17-7-9-18(24)10-8-17)25-14-29(21)20-6-4-3-5-19(20)28/h3-10,14-16,26H,11-13H2,1-2H3
InChIKeyGEPZFLWXFQXQJE-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.80
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone

(3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (PubChem CID 10644977) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
PubChem CID10644977
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name(3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESCC1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)CC(C)N1
InChIInChI=1S/C23H24FN5O/c1-15-11-27(12-16(2)26-15)23(30)28-13-21-22(17-7-9-18(24)10-8-17)25-14-29(21)20-6-4-3-5-19(20)28/h3-10,14-16,26H,11-13H2,1-2H3
InChIKeyGEPZFLWXFQXQJE-UHFFFAOYSA-N
XLogP3.80
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (CID 10644977) is (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is CC1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccccc32)CC(C)N1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The InChIKey is GEPZFLWXFQXQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-15-11-27(12-16(2)26-15)23(30)28-13-21-22(17-7-9-18(24)10-8-17)25-14-29(21)20-6-4-3-5-19(20)28/h3-10,14-16,26H,11-13H2,1-2H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
(3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone has a molecular weight of 405.48 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-[3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is sourced from PubChem (CID 10644977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).