N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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

C108H135Cl3F6N24O11S4 — CID 165098169

IUPACN-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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
SMILESCN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)n3)cc2F)CC1.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)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C27H31ClF4N6O2S.C27H34ClFN6O3S.C27H35ClN6O3S.C27H35FN6O3S/c1-26(2,3)41(39,40)37-23-14-18(6-8-21(23)28)34-24-20(27(30,31)32)15-33-25(36-24)35-17-5-7-19(22(29)13-17)16-9-11-38(4)12-10-16;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)33-38(35,36)27(2,3)4/h5-8,13-16,37H,9-12H2,1-4H3,(H2,33,34,35,36);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);7-11,16-18,33H,5-6,12-15H2,1-4H3,(H2,29,30,31,32)
InChIKeyXWCQKROBANVOEI-UHFFFAOYSA-N
MW2294.04 g/mol
LogP24.57
Rot. Bonds37

About N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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

N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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 (PubChem CID 165098169) has the molecular formula C108H135Cl3F6N24O11S4 and a molecular weight of 2294.04 g/mol. Its IUPAC name is N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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.

Molecular Properties

Compound NameN-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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
PubChem CID165098169
Molecular FormulaC108H135Cl3F6N24O11S4
Molecular Weight2294.04 g/mol
Exact Mass2290.86
IUPAC NameN-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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
SMILESCN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)n3)cc2F)CC1.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)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C27H31ClF4N6O2S.C27H34ClFN6O3S.C27H35ClN6O3S.C27H35FN6O3S/c1-26(2,3)41(39,40)37-23-14-18(6-8-21(23)28)34-24-20(27(30,31)32)15-33-25(36-24)35-17-5-7-19(22(29)13-17)16-9-11-38(4)12-10-16;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)33-38(35,36)27(2,3)4/h5-8,13-16,37H,9-12H2,1-4H3,(H2,33,34,35,36);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);7-11,16-18,33H,5-6,12-15H2,1-4H3,(H2,29,30,31,32)
InChIKeyXWCQKROBANVOEI-UHFFFAOYSA-N
XLogP24.57
TPSA424.69 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002294.04
LogP ≤ 524.57
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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 with MolForge

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Related Compounds

5-chloro-4-N-(4-fluoro-2-morpholin-4-ylsulfonylphenyl)-2-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidine-2,4-diamine;4-(3-chloro-4-fluorophenyl)-5-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;5-chloro-4-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;4-(4-fluoro-2-pyrrolidin-1-ylsulfonylphenyl)-5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-amine;methane;5-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 161174320
4-N-(3-tert-butylphenyl)-5-methyl-2-N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethoxy)anilino]phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3,5-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;methane;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 160545755
4-N-[4-(3-tert-butylanilino)-5-methylpyrimidin-2-yl]-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(3-tert-butylphenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3,5-dimethylphenyl)-5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-[3-(2-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-2,4-diamine;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-1-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 161150104
4-N-(4-chloro-3-fluorophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-[4-(piperidin-1-ylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-chloro-3-methoxyphenyl)-5-methyl-2-N-(4-propoxyphenyl)pyrimidine-2,4-diamine;4-N-(3-chlorophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(4-chlorophenyl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
CID 161726802
4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-2-N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5-methylpyrimidine-2,4-diamine;4-N-(1-tert-butylsulfonylpyrrolo[2,3-b]pyridin-6-yl)-2-N-[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[2-chloro-5-[[2-[3,5-difluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]-3-pyridinyl]-2-methylpropane-2-sulfonamide;N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]-3-pyridinyl]-2-methylpropane-2-sulfonamide;N-[6-[[2-[3,5-difluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide
CID 165023872
4-N-(1-tert-butylsulfonyl-2,3-dihydroindol-6-yl)-5-methyl-2-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine;4-N-(7-tert-butylsulfonylpyrrolo[2,3-d]pyrimidin-2-yl)-2-N-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine;N-[6-[[2-[[4-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;N-[6-[[2-[[6-fluoro-5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide;N-[6-[[2-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-5-methylpyrimidin-4-yl]amino]pyrimidin-4-yl]-2-methylpropane-2-sulfonamide
CID 165024012
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
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

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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?
The IUPAC name of N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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 (CID 165098169) is N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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.
What is the SMILES notation for N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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?
The canonical SMILES for N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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 is CN1CCC(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c4)n3)cc2F)CC1.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)cc2)nc1Nc1ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c1.
What is the InChIKey of N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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?
The InChIKey is XWCQKROBANVOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClF4N6O2S.C27H34ClFN6O3S.C27H35ClN6O3S.C27H35FN6O3S/c1-26(2,3)41(39,40)37-23-14-18(6-8-21(23)28)34-24-20(27(30,31)32)15-33-25(36-24)35-17-5-7-19(22(29)13-17)16-9-11-38(4)12-10-16;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)33-38(35,36)27(2,3)4/h5-8,13-16,37H,9-12H2,1-4H3,(H2,33,34,35,36);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);7-11,16-18,33H,5-6,12-15H2,1-4H3,(H2,29,30,31,32).
What are the key properties of N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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?
N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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 has a molecular weight of 2294.04 g/mol, XLogP of 24.57, 37 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-2-methylpropane-2-sulfonamide;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 is sourced from PubChem (CID 165098169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).