About N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157301147) has the molecular formula C175H234B3Br3Cl4N36O30S3
and a molecular weight of 3832.18 g/mol. Its IUPAC name is N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
Frequently Asked Questions
What is the IUPAC name of N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157301147) is N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)NC1CCC(N(C(=O)OC(C)(C)C)c2ncc3cc(B(O)O)ccc3n2)CC1.CC(C)(C)OC(=O)NC1CCC(N(C(=O)OC(C)(C)C)c2ncc3cc(Br)ccc3n2)CC1.CC(C)(C)OC(=O)NC1CCC(Nc2ncc3cc(Br)ccc3n2)CC1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1nc(N)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C3CCC(NC(=O)OC(C)(C)C)CC3)ncc2c1.Cn1nc(N)cc1Br.Cn1nc(NS(=O)(=O)c2ccccc2Cl)cc1-c1ccc2nc(N(C(=O)OC(C)(C)C)C3CCC(NC(=O)OC(C)(C)C)CC3)ncc2c1.Cn1nc(NS(=O)(=O)c2ccccc2Cl)cc1-c1ccc2nc(NC3CCC(N)CC3)ncc2c1.O=S(=O)(Cl)c1ccccc1Cl.
What is the InChIKey of N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is BBXKACSXYKFNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42ClN7O6S.C28H39N7O4.C24H35BN4O6.C24H33BrN4O4.C24H26ClN7O2S.C19H25BrN4O2.C12H24B2O4.C6H4Cl2O2S.C4H6BrN3/c1-33(2,3)47-31(43)37-23-13-15-24(16-14-23)42(32(44)48-34(4,5)6)30-36-20-22-18-21(12-17-26(22)38-30)27-19-29(39-41(27)7)40-49(45,46)28-11-9-8-10-25(28)35;1-27(2,3)38-25(36)31-19-9-11-20(12-10-19)35(26(37)39-28(4,5)6)24-30-16-18-14-17(8-13-21(18)32-24)22-15-23(29)33-34(22)7;1-23(2,3)34-21(30)27-17-8-10-18(11-9-17)29(22(31)35-24(4,5)6)20-26-14-15-13-16(25(32)33)7-12-19(15)28-20;1-23(2,3)32-21(30)27-17-8-10-18(11-9-17)29(22(31)33-24(4,5)6)20-26-14-15-13-16(25)7-12-19(15)28-20;1-32-21(13-23(30-32)31-35(33,34)22-5-3-2-4-19(22)25)15-6-11-20-16(12-15)14-27-24(29-20)28-18-9-7-17(26)8-10-18;1-19(2,3)26-18(25)23-15-7-5-14(6-8-15)22-17-21-11-12-10-13(20)4-9-16(12)24-17;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-3-1-2-4-6(5)11(8,9)10;1-8-3(5)2-4(6)7-8/h8-12,17-20,23-24H,13-16H2,1-7H3,(H,37,43)(H,39,40);8,13-16,19-20H,9-12H2,1-7H3,(H2,29,33)(H,31,36);7,12-14,17-18,32-33H,8-11H2,1-6H3,(H,27,30);7,12-14,17-18H,8-11H2,1-6H3,(H,27,30);2-6,11-14,17-18H,7-10,26H2,1H3,(H,30,31)(H,27,28,29);4,9-11,14-15H,5-8H2,1-3H3,(H,23,25)(H,21,22,24);1-8H3;1-4H;2H,1H3,(H2,6,7).
What are the key properties of N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3832.18 g/mol, XLogP of 35.20, 29 rotatable bonds, 14 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(4-aminocyclohexyl)amino]quinazolin-6-yl]-1-methylpyrazol-3-yl]-2-chlorobenzenesulfonamide;5-bromo-1-methylpyrazol-3-amine;tert-butyl N-[6-(3-amino-1-methylpyrazol-5-yl)quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[4-[(6-bromoquinazolin-2-yl)amino]cyclohexyl]carbamate;tert-butyl N-(6-bromoquinazolin-2-yl)-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;tert-butyl N-[6-[3-[(2-chlorophenyl)sulfonylamino]-1-methylpyrazol-5-yl]quinazolin-2-yl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate;2-chlorobenzenesulfonyl chloride;[2-[(2-methylpropan-2-yl)oxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]quinazolin-6-yl]boronic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157301147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).