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

C132H168ClF4N37O12S5 — CID 165052212

IUPACN-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide
SMILESCc1cnc(Nc2cc(F)c(C3CCN(C)CC3)cn2)nc1Nc1ccc2ccn(S(=O)(=O)C(C)(C)C)c2n1.Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1cc(NS(=O)(=O)C(C)(C)C)ncn1.Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc2ccn(S(=O)(=O)C(C)(C)C)c2n1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cc(NS(=O)(=O)C(C)(C)C)ncn1
InChIInChI=1S/C28H34FN7O2S.C27H34ClFN6O3S.C27H33FN8O2S.C25H33FN8O2S.C25H34N8O3S/c1-18-17-30-27(31-21-7-8-22(23(29)16-21)19-10-13-35(5)14-11-19)34-25(18)32-24-9-6-20-12-15-36(26(20)33-24)39(37,38)28(2,3)4;1-18-17-30-26(32-19-8-10-23(22(29)15-19)38-14-13-35-11-5-6-12-35)33-25(18)31-20-7-9-21(28)24(16-20)39(36,37)34-27(2,3)4;1-17-15-30-26(33-23-14-21(28)20(16-29-23)18-8-11-35(5)12-9-18)34-24(17)31-22-7-6-19-10-13-36(25(19)32-22)39(37,38)27(2,3)4;1-16-14-27-24(30-18-6-7-19(20(26)12-18)17-8-10-34(5)11-9-17)32-23(16)31-21-13-22(29-15-28-21)33-37(35,36)25(2,3)4;1-18-16-26-24(29-19-7-9-20(10-8-19)36-14-13-33-11-5-6-12-33)31-23(18)30-21-15-22(28-17-27-21)32-37(34,35)25(2,3)4/h6-9,12,15-17,19H,10-11,13-14H2,1-5H3,(H2,30,31,32,33,34);7-10,15-17,34H,5-6,11-14H2,1-4H3,(H2,30,31,32,33);6-7,10,13-16,18H,8-9,11-12H2,1-5H3,(H2,29,30,31,32,33,34);6-7,12-15,17H,8-11H2,1-5H3,(H3,27,28,29,30,31,32,33);7-10,15-17H,5-6,11-14H2,1-4H3,(H3,26,27,28,29,30,31,32)
InChIKeyPVNPQOOZHCNVEP-UHFFFAOYSA-N
MW2736.82 g/mol
LogP24.73
Rot. Bonds39

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

N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide (PubChem CID 165052212) has the molecular formula C132H168ClF4N37O12S5 and a molecular weight of 2736.82 g/mol. Its IUPAC name is N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide
PubChem CID165052212
Molecular FormulaC132H168ClF4N37O12S5
Molecular Weight2736.82 g/mol
Exact Mass2734.19
IUPAC NameN-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide
SMILESCc1cnc(Nc2cc(F)c(C3CCN(C)CC3)cn2)nc1Nc1ccc2ccn(S(=O)(=O)C(C)(C)C)c2n1.Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1cc(NS(=O)(=O)C(C)(C)C)ncn1.Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc2ccn(S(=O)(=O)C(C)(C)C)c2n1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cc(NS(=O)(=O)C(C)(C)C)ncn1
InChIInChI=1S/C28H34FN7O2S.C27H34ClFN6O3S.C27H33FN8O2S.C25H33FN8O2S.C25H34N8O3S/c1-18-17-30-27(31-21-7-8-22(23(29)16-21)19-10-13-35(5)14-11-19)34-25(18)32-24-9-6-20-12-15-36(26(20)33-24)39(37,38)28(2,3)4;1-18-17-30-26(32-19-8-10-23(22(29)15-19)38-14-13-35-11-5-6-12-35)33-25(18)31-20-7-9-21(28)24(16-20)39(36,37)34-27(2,3)4;1-17-15-30-26(33-23-14-21(28)20(16-29-23)18-8-11-35(5)12-9-18)34-24(17)31-22-7-6-19-10-13-36(25(19)32-22)39(37,38)27(2,3)4;1-16-14-27-24(30-18-6-7-19(20(26)12-18)17-8-10-34(5)11-9-17)32-23(16)31-21-13-22(29-15-28-21)33-37(35,36)25(2,3)4;1-18-16-26-24(29-19-7-9-20(10-8-19)36-14-13-33-11-5-6-12-33)31-23(18)30-21-15-22(28-17-27-21)32-37(34,35)25(2,3)4/h6-9,12,15-17,19H,10-11,13-14H2,1-5H3,(H2,30,31,32,33,34);7-10,15-17,34H,5-6,11-14H2,1-4H3,(H2,30,31,32,33);6-7,10,13-16,18H,8-9,11-12H2,1-5H3,(H2,29,30,31,32,33,34);6-7,12-15,17H,8-11H2,1-5H3,(H3,27,28,29,30,31,32,33);7-10,15-17H,5-6,11-14H2,1-4H3,(H3,26,27,28,29,30,31,32)
InChIKeyPVNPQOOZHCNVEP-UHFFFAOYSA-N
XLogP24.73
TPSA590.74 Ų
H-Bond Donors13
H-Bond Acceptors46
Rotatable Bonds39
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002736.82
LogP ≤ 524.73
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1046

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide?
The IUPAC name of N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide (CID 165052212) is N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide?
The canonical SMILES for N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide is Cc1cnc(Nc2cc(F)c(C3CCN(C)CC3)cn2)nc1Nc1ccc2ccn(S(=O)(=O)C(C)(C)C)c2n1.Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1cc(NS(=O)(=O)C(C)(C)C)ncn1.Cc1cnc(Nc2ccc(C3CCN(C)CC3)c(F)c2)nc1Nc1ccc2ccn(S(=O)(=O)C(C)(C)C)c2n1.Cc1cnc(Nc2ccc(OCCN3CCCC3)c(F)c2)nc1Nc1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cc(NS(=O)(=O)C(C)(C)C)ncn1.
What is the InChIKey of N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide?
The InChIKey is PVNPQOOZHCNVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN7O2S.C27H34ClFN6O3S.C27H33FN8O2S.C25H33FN8O2S.C25H34N8O3S/c1-18-17-30-27(31-21-7-8-22(23(29)16-21)19-10-13-35(5)14-11-19)34-25(18)32-24-9-6-20-12-15-36(26(20)33-24)39(37,38)28(2,3)4;1-18-17-30-26(32-19-8-10-23(22(29)15-19)38-14-13-35-11-5-6-12-35)33-25(18)31-20-7-9-21(28)24(16-20)39(36,37)34-27(2,3)4;1-17-15-30-26(33-23-14-21(28)20(16-29-23)18-8-11-35(5)12-9-18)34-24(17)31-22-7-6-19-10-13-36(25(19)32-22)39(37,38)27(2,3)4;1-16-14-27-24(30-18-6-7-19(20(26)12-18)17-8-10-34(5)11-9-17)32-23(16)31-21-13-22(29-15-28-21)33-37(35,36)25(2,3)4;1-18-16-26-24(29-19-7-9-20(10-8-19)36-14-13-33-11-5-6-12-33)31-23(18)30-21-15-22(28-17-27-21)32-37(34,35)25(2,3)4/h6-9,12,15-17,19H,10-11,13-14H2,1-5H3,(H2,30,31,32,33,34);7-10,15-17,34H,5-6,11-14H2,1-4H3,(H2,30,31,32,33);6-7,10,13-16,18H,8-9,11-12H2,1-5H3,(H2,29,30,31,32,33,34);6-7,12-15,17H,8-11H2,1-5H3,(H3,27,28,29,30,31,32,33);7-10,15-17H,5-6,11-14H2,1-4H3,(H3,26,27,28,29,30,31,32).
What are the key properties of N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide?
N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide has a molecular weight of 2736.82 g/mol, XLogP of 24.73, 39 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-chloro-5-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;2-methyl-N-[6-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]pyrimidin-4-yl]propane-2-sulfonamide is sourced from PubChem (CID 165052212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).