N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide

C164H212Cl2F4N36O17S6 — CID 165068176

IUPACN-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide
SMILESCc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc2c(c1)N(S(=O)(=O)C(C)(C)C)CC2.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1cccc(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(NS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C29H37FN6O2S.C27H34ClFN6O3S.C27H35ClN6O3S.2C27H35FN6O3S.C27H36N6O3S/c1-19-18-31-28(33-22-8-9-24(25(30)16-22)20-10-13-35(5)14-11-20)34-27(19)32-23-7-6-21-12-15-36(26(21)17-23)39(37,38)29(2,3)4;1-18-17-30-26(32-19-8-10-24(22(29)15-19)38-14-13-35-11-5-6-12-35)33-25(18)31-20-7-9-21(28)23(16-20)34-39(36,37)27(2,3)4;1-19-18-29-26(31-20-7-10-22(11-8-20)37-16-15-34-13-5-6-14-34)32-25(19)30-21-9-12-23(28)24(17-21)33-38(35,36)27(2,3)4;1-19-18-29-26(31-21-10-11-24(23(28)17-21)37-15-14-34-12-5-6-13-34)32-25(19)30-20-8-7-9-22(16-20)38(35,36)33-27(2,3)4;1-19-18-29-26(31-21-10-11-24(23(28)17-21)37-15-14-34-12-5-6-13-34)32-25(19)30-20-8-7-9-22(16-20)33-38(35,36)27(2,3)4;1-20-19-28-26(30-21-10-12-24(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-23(18-22)32-37(34,35)27(2,3)4/h6-9,16-18,20H,10-15H2,1-5H3,(H2,31,32,33,34);7-10,15-17,34H,5-6,11-14H2,1-4H3,(H2,30,31,32,33);7-12,17-18,33H,5-6,13-16H2,1-4H3,(H2,29,30,31,32);2*7-11,16-18,33H,5-6,12-15H2,1-4H3,(H2,29,30,31,32);7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChIKeySHTSOWLTCMDACS-UHFFFAOYSA-N
MW3299.03 g/mol
LogP33.41
Rot. Bonds56

About N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide

N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide (PubChem CID 165068176) has the molecular formula C164H212Cl2F4N36O17S6 and a molecular weight of 3299.03 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide
PubChem CID165068176
Molecular FormulaC164H212Cl2F4N36O17S6
Molecular Weight3299.03 g/mol
Exact Mass3295.45
IUPAC NameN-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide
SMILESCc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc2c(c1)N(S(=O)(=O)C(C)(C)C)CC2.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1cccc(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(NS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C29H37FN6O2S.C27H34ClFN6O3S.C27H35ClN6O3S.2C27H35FN6O3S.C27H36N6O3S/c1-19-18-31-28(33-22-8-9-24(25(30)16-22)20-10-13-35(5)14-11-20)34-27(19)32-23-7-6-21-12-15-36(26(21)17-23)39(37,38)29(2,3)4;1-18-17-30-26(32-19-8-10-24(22(29)15-19)38-14-13-35-11-5-6-12-35)33-25(18)31-20-7-9-21(28)23(16-20)34-39(36,37)27(2,3)4;1-19-18-29-26(31-20-7-10-22(11-8-20)37-16-15-34-13-5-6-14-34)32-25(19)30-21-9-12-23(28)24(17-21)33-38(35,36)27(2,3)4;1-19-18-29-26(31-21-10-11-24(23(28)17-21)37-15-14-34-12-5-6-13-34)32-25(19)30-20-8-7-9-22(16-20)38(35,36)33-27(2,3)4;1-19-18-29-26(31-21-10-11-24(23(28)17-21)37-15-14-34-12-5-6-13-34)32-25(19)30-20-8-7-9-22(16-20)33-38(35,36)27(2,3)4;1-20-19-28-26(30-21-10-12-24(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-23(18-22)32-37(34,35)27(2,3)4/h6-9,16-18,20H,10-15H2,1-5H3,(H2,31,32,33,34);7-10,15-17,34H,5-6,11-14H2,1-4H3,(H2,30,31,32,33);7-12,17-18,33H,5-6,13-16H2,1-4H3,(H2,29,30,31,32);2*7-11,16-18,33H,5-6,12-15H2,1-4H3,(H2,29,30,31,32);7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChIKeySHTSOWLTCMDACS-UHFFFAOYSA-N
XLogP33.41
TPSA632.86 Ų
H-Bond Donors17
H-Bond Acceptors47
Rotatable Bonds56
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003299.03
LogP ≤ 533.41
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1047

Analyze N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide?
The IUPAC name of N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide (CID 165068176) is N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide is Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc2c(c1)N(S(=O)(=O)C(C)(C)C)CC2.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1cccc(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(NS(=O)(=O)C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide?
The InChIKey is SHTSOWLTCMDACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN6O2S.C27H34ClFN6O3S.C27H35ClN6O3S.2C27H35FN6O3S.C27H36N6O3S/c1-19-18-31-28(33-22-8-9-24(25(30)16-22)20-10-13-35(5)14-11-20)34-27(19)32-23-7-6-21-12-15-36(26(21)17-23)39(37,38)29(2,3)4;1-18-17-30-26(32-19-8-10-24(22(29)15-19)38-14-13-35-11-5-6-12-35)33-25(18)31-20-7-9-21(28)23(16-20)34-39(36,37)27(2,3)4;1-19-18-29-26(31-20-7-10-22(11-8-20)37-16-15-34-13-5-6-14-34)32-25(19)30-21-9-12-23(28)24(17-21)33-38(35,36)27(2,3)4;1-19-18-29-26(31-21-10-11-24(23(28)17-21)37-15-14-34-12-5-6-13-34)32-25(19)30-20-8-7-9-22(16-20)38(35,36)33-27(2,3)4;1-19-18-29-26(31-21-10-11-24(23(28)17-21)37-15-14-34-12-5-6-13-34)32-25(19)30-20-8-7-9-22(16-20)33-38(35,36)27(2,3)4;1-20-19-28-26(30-21-10-12-24(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-23(18-22)32-37(34,35)27(2,3)4/h6-9,16-18,20H,10-15H2,1-5H3,(H2,31,32,33,34);7-10,15-17,34H,5-6,11-14H2,1-4H3,(H2,30,31,32,33);7-12,17-18,33H,5-6,13-16H2,1-4H3,(H2,29,30,31,32);2*7-11,16-18,33H,5-6,12-15H2,1-4H3,(H2,29,30,31,32);7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31).
What are the key properties of N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide?
N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide has a molecular weight of 3299.03 g/mol, XLogP of 33.41, 56 rotatable bonds, 17 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;N-[3-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;2-methyl-N-[3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 165068176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).