About N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one
N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one (PubChem CID 165108211) has the molecular formula C156H172BBr3Cl7F9N26O22S6
and a molecular weight of 3625.33 g/mol. Its IUPAC name is N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one.
Frequently Asked Questions
What is the IUPAC name of N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one?
The IUPAC name of N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one (CID 165108211) is N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one.
What is the SMILES notation for N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one?
The canonical SMILES for N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one is CC(C)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)c(F)c2)c2c(N)ncc(C3CCC(N)CC3)n12.CC(C)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)c(F)c2)c2c(N)ncc(C3CCC(NC(=O)OC(C)(C)C)CC3)n12.CC(C)c1nc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)c(F)c2)c2c(N)ncc(C3CCC(NC4COC4)CC3)n12.CC(C)c1nc(Br)c2c(NC(=O)C(F)(F)F)ncc(C3CCC(NC(=O)OC(C)(C)C)CC3)n12.CC1(C)OB(c2ccc(NS(=O)(=O)c3ccccc3Cl)c(F)c2)OC1(C)C.Nc1ccc(Br)cc1F.O=C1COC1.O=S(=O)(Cl)c1ccccc1Cl.O=S(=O)(Nc1ccc(Br)cc1F)c1ccccc1Cl.
What is the InChIKey of N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one?
The InChIKey is ZMUHKLDCRCXWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClFN6O4S.C30H34ClFN6O3S.C27H30ClFN6O2S.C22H29BrF3N5O3.C18H20BClFNO4S.C12H8BrClFNO2S.C6H5BrFN.C6H4Cl2O2S.C3H4O2/c1-18(2)30-38-27(20-12-15-24(23(34)16-20)39-45(42,43)26-9-7-6-8-22(26)33)28-29(35)36-17-25(40(28)30)19-10-13-21(14-11-19)37-31(41)44-32(3,4)5;1-17(2)30-36-27(19-9-12-24(23(32)13-19)37-42(39,40)26-6-4-3-5-22(26)31)28-29(33)34-14-25(38(28)30)18-7-10-20(11-8-18)35-21-15-41-16-21;1-15(2)27-33-24(25-26(31)32-14-22(35(25)27)16-7-10-18(30)11-8-16)17-9-12-21(20(29)13-17)34-38(36,37)23-6-4-3-5-19(23)28;1-11(2)18-29-16(23)15-17(30-19(32)22(24,25)26)27-10-14(31(15)18)12-6-8-13(9-7-12)28-20(33)34-21(3,4)5;1-17(2)18(3,4)26-19(25-17)12-9-10-15(14(21)11-12)22-27(23,24)16-8-6-5-7-13(16)20;13-8-5-6-11(10(15)7-8)16-19(17,18)12-4-2-1-3-9(12)14;7-4-1-2-6(9)5(8)3-4;7-5-3-1-2-4-6(5)11(8,9)10;4-3-1-5-2-3/h6-9,12,15-19,21,39H,10-11,13-14H2,1-5H3,(H2,35,36)(H,37,41);3-6,9,12-14,17-18,20-21,35,37H,7-8,10-11,15-16H2,1-2H3,(H2,33,34);3-6,9,12-16,18,34H,7-8,10-11,30H2,1-2H3,(H2,31,32);10-13H,6-9H2,1-5H3,(H,28,33)(H,27,30,32);5-11,22H,1-4H3;1-7,16H;1-3H,9H2;1-4H;1-2H2.
What are the key properties of N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one?
N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one has a molecular weight of 3625.33 g/mol, XLogP of 35.95, 33 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-amino-5-(4-aminocyclohexyl)-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;N-[4-[8-amino-5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-1-yl]-2-fluorophenyl]-2-chlorobenzenesulfonamide;4-bromo-2-fluoroaniline;N-(4-bromo-2-fluorophenyl)-2-chlorobenzenesulfonamide;tert-butyl N-[4-[8-amino-1-[4-[(2-chlorophenyl)sulfonylamino]-3-fluorophenyl]-3-propan-2-ylimidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;tert-butyl N-[4-[1-bromo-3-propan-2-yl-8-[(2,2,2-trifluoroacetyl)amino]imidazo[1,5-a]pyrazin-5-yl]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;2-chloro-N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide;oxetan-3-one is sourced from PubChem (CID 165108211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).