bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine

C105H94F3N25 — CID 159760696

IUPACbis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5c(C(F)(F)F)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Cc1nc(-c2ccccc2)nc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)ccc12.Cc1nc(-c2ccccc2)nc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)ccc12.Nc1nccn2c(C3CCC3)nc(-c3ccc4ncc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C31H30F3N7.2C25H22N6.C24H20N6/c1-39-11-13-40(14-12-39)22-15-21(16-22)30-38-27(28-29(35)36-9-10-41(28)30)20-7-8-23-24(31(32,33)34)18-25(37-26(23)17-20)19-5-3-2-4-6-19;2*1-15-19-11-10-18(14-20(19)29-24(28-15)16-6-3-2-4-7-16)21-22-23(26)27-12-13-31(22)25(30-21)17-8-5-9-17;25-23-22-21(29-24(16-7-4-8-16)30(22)12-11-26-23)17-9-10-18-19(13-17)28-20(14-27-18)15-5-2-1-3-6-15/h2-10,17-18,21-22H,11-16H2,1H3,(H2,35,36);2*2-4,6-7,10-14,17H,5,8-9H2,1H3,(H2,26,27);1-3,5-6,9-14,16H,4,7-8H2,(H2,25,26)
InChIKeyNEVMLDBXBZPHNN-UHFFFAOYSA-N
MW1763.08 g/mol
LogP20.89
Rot. Bonds13

About bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine

bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 159760696) has the molecular formula C105H94F3N25 and a molecular weight of 1763.08 g/mol. Its IUPAC name is bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Namebis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID159760696
Molecular FormulaC105H94F3N25
Molecular Weight1763.08 g/mol
Exact Mass1761.81
IUPAC Namebis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5c(C(F)(F)F)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Cc1nc(-c2ccccc2)nc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)ccc12.Cc1nc(-c2ccccc2)nc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)ccc12.Nc1nccn2c(C3CCC3)nc(-c3ccc4ncc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C31H30F3N7.2C25H22N6.C24H20N6/c1-39-11-13-40(14-12-39)22-15-21(16-22)30-38-27(28-29(35)36-9-10-41(28)30)20-7-8-23-24(31(32,33)34)18-25(37-26(23)17-20)19-5-3-2-4-6-19;2*1-15-19-11-10-18(14-20(19)29-24(28-15)16-6-3-2-4-7-16)21-22-23(26)27-12-13-31(22)25(30-21)17-8-5-9-17;25-23-22-21(29-24(16-7-4-8-16)30(22)12-11-26-23)17-9-10-18-19(13-17)28-20(14-27-18)15-5-2-1-3-6-15/h2-10,17-18,21-22H,11-16H2,1H3,(H2,35,36);2*2-4,6-7,10-14,17H,5,8-9H2,1H3,(H2,26,27);1-3,5-6,9-14,16H,4,7-8H2,(H2,25,26)
InChIKeyNEVMLDBXBZPHNN-UHFFFAOYSA-N
XLogP20.89
TPSA321.55 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001763.08
LogP ≤ 520.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

3-[cis-3-(4-Methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 16214946
1-(2-Phenylquinolin-7-yl)-3-(3-piperidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44451470
1-(2-Phenylquinolin-7-yl)-3-(3-pyrrolidin-1-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44451484
6-[(1-ethylpiperidin-4-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 124114477
N-[4-(3-cyclopentyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[3-(4-methylpiperazin-1-yl)prop-1-en-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 155802632
3-[3-(4-Methylpiperazine-1,4-diium-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 44629708
2-[6-(1H-benzimidazol-2-yl)-2-pyridyl]-1H-benzimidazole; 1,10-phenanthroline; pyrazine; ruthenium(2+); ruthenium(3+); trihexafluorophosphate
CID 11980901
iron(2+);bis(2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline);diisothiocyanate
CID 139166165
13-(Trifluoromethyl)benzo[4,5]imidazo[1,2-a][1,10]phenanthroline
CID 139192824
3-[3-(4-Methyl-piperazin-1-yl)-cyclobutyl]-1-(2-phenyl-4-trifluoromethyl-quinolin-7-yl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 11678472
1-(8-Fluoro-2-phenyl-quinolin-7-yl)-3-[3-(4-methyl-piperazin-1-yl)-cyclobutyl]-imidazo[1,5-a]pyrazin-8-ylamine
CID 53629073
1-(8-Fluoro-4-methyl-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 53629083

Frequently Asked Questions

What is the IUPAC name of bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine (CID 159760696) is bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine is CN1CCN(C2CC(c3nc(-c4ccc5c(C(F)(F)F)cc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Cc1nc(-c2ccccc2)nc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)ccc12.Cc1nc(-c2ccccc2)nc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)ccc12.Nc1nccn2c(C3CCC3)nc(-c3ccc4ncc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is NEVMLDBXBZPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N7.2C25H22N6.C24H20N6/c1-39-11-13-40(14-12-39)22-15-21(16-22)30-38-27(28-29(35)36-9-10-41(28)30)20-7-8-23-24(31(32,33)34)18-25(37-26(23)17-20)19-5-3-2-4-6-19;2*1-15-19-11-10-18(14-20(19)29-24(28-15)16-6-3-2-4-7-16)21-22-23(26)27-12-13-31(22)25(30-21)17-8-5-9-17;25-23-22-21(29-24(16-7-4-8-16)30(22)12-11-26-23)17-9-10-18-19(13-17)28-20(14-27-18)15-5-2-1-3-6-15/h2-10,17-18,21-22H,11-16H2,1H3,(H2,35,36);2*2-4,6-7,10-14,17H,5,8-9H2,1H3,(H2,26,27);1-3,5-6,9-14,16H,4,7-8H2,(H2,25,26).
What are the key properties of bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?
bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1763.08 g/mol, XLogP of 20.89, 13 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-cyclobutyl-1-(4-methyl-2-phenylquinazolin-7-yl)imidazo[1,5-a]pyrazin-8-amine);3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-[2-phenyl-4-(trifluoromethyl)quinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159760696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).