tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate

C25H34FN5O3 — CID 54518099

IUPACtert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC1CN(C(=O)N2c3cc(F)ccc3-n3cnc(C(=O)OC(C)(C)C)c3C2(C)C)CC(C)N1C
InChIInChI=1S/C25H34FN5O3/c1-15-12-29(13-16(2)28(15)8)23(33)31-19-11-17(26)9-10-18(19)30-14-27-20(21(30)25(31,6)7)22(32)34-24(3,4)5/h9-11,14-16H,12-13H2,1-8H3
InChIKeyYNVFYOICMOTZSC-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.17
Rot. Bonds1

About tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate

tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 54518099) has the molecular formula C25H34FN5O3 and a molecular weight of 471.58 g/mol. Its IUPAC name is tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID54518099
Molecular FormulaC25H34FN5O3
Molecular Weight471.58 g/mol
Exact Mass471.26
IUPAC Nametert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCC1CN(C(=O)N2c3cc(F)ccc3-n3cnc(C(=O)OC(C)(C)C)c3C2(C)C)CC(C)N1C
InChIInChI=1S/C25H34FN5O3/c1-15-12-29(13-16(2)28(15)8)23(33)31-19-11-17(26)9-10-18(19)30-14-27-20(21(30)25(31,6)7)22(32)34-24(3,4)5/h9-11,14-16H,12-13H2,1-8H3
InChIKeyYNVFYOICMOTZSC-UHFFFAOYSA-N
XLogP4.17
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate with MolForge

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Related Compounds

tert-butyl 6-chloro-5-(dimethylcarbamoyl)-4,4-dimethylimidazo[1,5-a]quinoxaline-3-carboxylate
CID 22912879
tert-butyl 5-[(3S)-3-methylpiperazine-1-carbonyl]-7-(trifluoromethyl)-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 10814009
tert-butyl 9-fluoro-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-5-carboxylate
CID 68777580
tert-butyl 7-fluoro-4-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 141048391
tert-butyl (3S,5R)-4-(4-fluorophenyl)-3,5-dimethylpiperazine-1-carboxylate
CID 171770663
tert-butyl 7-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 71521315
tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
tert-butyl 3-(2,4,5-trimethylpiperazine-1-carbonyl)pyrazine-2-carboxylate
CID 126839345
tert-butyl 8-(dimethylamino)-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 10808192
tert-butyl 4-(3-fluorophenyl)-3-methylpiperazine-1-carboxylate
CID 166723804
tert-butyl (7S)-15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate;tert-butyl (7S)-14-methoxy-11-oxo-2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate
CID 160700294

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate (CID 54518099) is tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate is CC1CN(C(=O)N2c3cc(F)ccc3-n3cnc(C(=O)OC(C)(C)C)c3C2(C)C)CC(C)N1C.
What is the InChIKey of tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is YNVFYOICMOTZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O3/c1-15-12-29(13-16(2)28(15)8)23(33)31-19-11-17(26)9-10-18(19)30-14-27-20(21(30)25(31,6)7)22(32)34-24(3,4)5/h9-11,14-16H,12-13H2,1-8H3.
What are the key properties of tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 471.58 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-fluoro-4,4-dimethyl-5-(3,4,5-trimethylpiperazine-1-carbonyl)imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 54518099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).