About N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane
N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane (PubChem CID 159658861) has the molecular formula C147H166N38O24S7
and a molecular weight of 3073.66 g/mol. Its IUPAC name is N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane.
Frequently Asked Questions
What is the IUPAC name of N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane?
The IUPAC name of N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane (CID 159658861) is N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane.
What is the SMILES notation for N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane?
The canonical SMILES for N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane is C.CC(=O)N1CC(NS(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)C1.CC(=O)N1CCN(S(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)C1.Cc1ccc2c(c1)C(=O)N(C)c1cnc(NC34CC(S(=O)(=O)N5CCC(O)CC5)(C3)C4)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cc(S(=O)(=O)N4CCC(O)CC4)cs3)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CC[C@H](O)C4)c3)nc1N2C.Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)NC45CC(O)(C4)C5)c3)nc1N2C.
What is the InChIKey of N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane?
The InChIKey is MSNKMGVVHIQTPC-AJDNQCRRSA-N. The full InChI is InChI=1S/2C25H27N7O4S.C25H26N6O4S.C24H30N6O4S.C24H26N6O4S.C23H26N6O4S2.CH4/c1-15-8-9-21-20(10-15)24(34)31(4)22-12-26-25(28-23(22)30(21)3)27-17-6-5-7-19(11-17)37(35,36)29-18-13-32(14-18)16(2)33;1-16-8-9-21-20(12-16)24(34)30(4)22-14-26-25(28-23(22)29(21)3)27-18-6-5-7-19(13-18)37(35,36)32-11-10-31(15-32)17(2)33;1-15-7-8-19-18(9-15)22(32)31(3)20-11-26-23(28-21(20)30(19)2)27-16-5-4-6-17(10-16)36(34,35)29-24-12-25(33,13-24)14-24;1-15-4-5-18-17(10-15)21(32)29(3)19-11-25-22(26-20(19)28(18)2)27-23-12-24(13-23,14-23)35(33,34)30-8-6-16(31)7-9-30;1-15-7-8-20-19(11-15)23(32)29(3)21-13-25-24(27-22(21)28(20)2)26-16-5-4-6-18(12-16)35(33,34)30-10-9-17(31)14-30;1-14-4-5-18-17(10-14)22(31)28(3)19-12-24-23(26-21(19)27(18)2)25-20-11-16(13-34-20)35(32,33)29-8-6-15(30)7-9-29;/h5-12,18,29H,13-14H2,1-4H3,(H,26,27,28);5-9,12-14H,10-11,15H2,1-4H3,(H,26,27,28);4-11,29,33H,12-14H2,1-3H3,(H,26,27,28);4-5,10-11,16,31H,6-9,12-14H2,1-3H3,(H,25,26,27);4-8,11-13,17,31H,9-10,14H2,1-3H3,(H,25,26,27);4-5,10-13,15,30H,6-9H2,1-3H3,(H,24,25,26);1H4/t;;;;17-;;/m....0../s1.
What are the key properties of N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane?
N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane has a molecular weight of 3073.66 g/mol, XLogP of 16.31, 26 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylazetidin-3-yl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[3-(3-acetylimidazolidin-1-yl)sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;N-(3-hydroxy-1-bicyclo[1.1.1]pentanyl)-3-[(5,8,11-trimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]benzenesulfonamide;2-[[3-(4-hydroxypiperidin-1-yl)sulfonyl-1-bicyclo[1.1.1]pentanyl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[[4-(4-hydroxypiperidin-1-yl)sulfonylthiophen-2-yl]amino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;2-[3-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylanilino]-5,8,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one;methane is sourced from PubChem (CID 159658861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).