(3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone

C23H23F2N5O — CID 10574287

IUPAC(3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESCC1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)CC(C)N1
InChIInChI=1S/C23H23F2N5O/c1-14-10-28(11-15(2)27-14)23(31)29-12-21-22(16-3-5-17(24)6-4-16)26-13-30(21)19-8-7-18(25)9-20(19)29/h3-9,13-15,27H,10-12H2,1-2H3
InChIKeyJGTCAZYZKSEFEF-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.94
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone

(3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (PubChem CID 10574287) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
PubChem CID10574287
Molecular FormulaC23H23F2N5O
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name(3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone
SMILESCC1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)CC(C)N1
InChIInChI=1S/C23H23F2N5O/c1-14-10-28(11-15(2)27-14)23(31)29-12-21-22(16-3-5-17(24)6-4-16)26-13-30(21)19-8-7-18(25)9-20(19)29/h3-9,13-15,27H,10-12H2,1-2H3
InChIKeyJGTCAZYZKSEFEF-UHFFFAOYSA-N
XLogP3.94
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.94
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)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone (CID 10574287) is (3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is CC1CN(C(=O)N2Cc3c(-c4ccc(F)cc4)ncn3-c3ccc(F)cc32)CC(C)N1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
The InChIKey is JGTCAZYZKSEFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-14-10-28(11-15(2)27-14)23(31)29-12-21-22(16-3-5-17(24)6-4-16)26-13-30(21)19-8-7-18(25)9-20(19)29/h3-9,13-15,27H,10-12H2,1-2H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone?
(3,5-dimethylpiperazin-1-yl)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone has a molecular weight of 423.47 g/mol, XLogP of 3.94, 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)-[7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxalin-5-yl]methanone is sourced from PubChem (CID 10574287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).