2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid

C119H142Cl5F9N32O6S2 — CID 161299075

IUPAC2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid
SMILESCc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2cc(C(F)(F)F)n[nH]2)n1.Cc1cc(Cc2nc(Cc3cc(C(F)(F)F)c(C4CCN(C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C(=O)O)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCCS(=O)(=O)N5CCC5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCS(C)(=O)=O)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C27H37ClN8O2S.C23H24ClF4N5.C23H25ClF3N5.C23H29ClFN7O2S.C23H27ClFN7O2/c1-18-15-24(30-27-29-17-23(28)26(32-27)31-25-16-20(3)33-34-25)19(2)14-22(18)21-6-11-35(12-7-21)8-5-13-39(37,38)36-9-4-10-36;1-13-7-16(32-31-13)10-21-19(24)12-29-22(30-21)9-15-8-18(23(26,27)28)17(11-20(15)25)14-3-5-33(2)6-4-14;1-13-8-18(15-3-5-28-6-4-15)14(2)7-16(13)9-22-29-12-19(24)20(30-22)10-17-11-21(32-31-17)23(25,26)27;1-14-10-20(27-23-26-13-18(24)22(29-23)28-21-11-15(2)30-31-21)19(25)12-17(14)16-4-6-32(7-5-16)8-9-35(3,33)34;1-12-8-19(18(25)10-16(12)15-4-6-32(7-5-15)14(3)22(33)34)27-23-26-11-17(24)21(29-23)28-20-9-13(2)30-31-20/h14-17,21H,4-13H2,1-3H3,(H3,29,30,31,32,33,34);7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,31,32);7-8,11-12,15,28H,3-6,9-10H2,1-2H3,(H,31,32);10-13,16H,4-9H2,1-3H3,(H3,26,27,28,29,30,31);8-11,14-15H,4-7H2,1-3H3,(H,33,34)(H3,26,27,28,29,30,31)
InChIKeyVHJBQSCKAYHXSF-UHFFFAOYSA-N
MW2529.04 g/mol
LogP24.39
Rot. Bonds35

About 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid

2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid (PubChem CID 161299075) has the molecular formula C119H142Cl5F9N32O6S2 and a molecular weight of 2529.04 g/mol. Its IUPAC name is 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid
PubChem CID161299075
Molecular FormulaC119H142Cl5F9N32O6S2
Molecular Weight2529.04 g/mol
Exact Mass2524.95
IUPAC Name2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid
SMILESCc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2cc(C(F)(F)F)n[nH]2)n1.Cc1cc(Cc2nc(Cc3cc(C(F)(F)F)c(C4CCN(C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C(=O)O)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCCS(=O)(=O)N5CCC5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCS(C)(=O)=O)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C27H37ClN8O2S.C23H24ClF4N5.C23H25ClF3N5.C23H29ClFN7O2S.C23H27ClFN7O2/c1-18-15-24(30-27-29-17-23(28)26(32-27)31-25-16-20(3)33-34-25)19(2)14-22(18)21-6-11-35(12-7-21)8-5-13-39(37,38)36-9-4-10-36;1-13-7-16(32-31-13)10-21-19(24)12-29-22(30-21)9-15-8-18(23(26,27)28)17(11-20(15)25)14-3-5-33(2)6-4-14;1-13-8-18(15-3-5-28-6-4-15)14(2)7-16(13)9-22-29-12-19(24)20(30-22)10-17-11-21(32-31-17)23(25,26)27;1-14-10-20(27-23-26-13-18(24)22(29-23)28-21-11-15(2)30-31-21)19(25)12-17(14)16-4-6-32(7-5-16)8-9-35(3,33)34;1-12-8-19(18(25)10-16(12)15-4-6-32(7-5-15)14(3)22(33)34)27-23-26-11-17(24)21(29-23)28-20-9-13(2)30-31-20/h14-17,21H,4-13H2,1-3H3,(H3,29,30,31,32,33,34);7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,31,32);7-8,11-12,15,28H,3-6,9-10H2,1-2H3,(H,31,32);10-13,16H,4-9H2,1-3H3,(H3,26,27,28,29,30,31);8-11,14-15H,4-7H2,1-3H3,(H,33,34)(H3,26,27,28,29,30,31)
InChIKeyVHJBQSCKAYHXSF-UHFFFAOYSA-N
XLogP24.39
TPSA478.29 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002529.04
LogP ≤ 524.39
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-2-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;5-chloro-2-N-[2,5-dimethyl-4-[(2S)-1-methylpiperidin-2-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol
CID 157393225
2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]ethanol;2-N-[4-(1-ethylpiperidin-4-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 158445607
2-[3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]acetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]butan-2-one;2-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]acetamide;1-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]butan-2-one
CID 158614024
1-[4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[2,5-difluoro-4-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2,5-dimethyl-4-[(2R)-1-methylpiperidin-2-yl]phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]ethanol
CID 158661266
5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2-fluoro-5-methyl-4-piperidin-4-ylphenyl)methyl]pyrimidine;5-chloro-2-N-(2,5-dimethyl-4-piperidin-4-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-[1-(methylamino)cyclobutyl]methanone;(2S)-3-[4-[2,5-dimethyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 158810138
2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]butan-2-one;2-N-[4-(1-ethylpiperidin-4-yl)-2,5-dimethylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 159144839
5-chloro-2-N-(2,5-dimethyl-4-piperidin-2-ylphenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(thian-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-fluoro-2-methyl-5-(1-propan-2-ylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[4-[[5-chloro-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide
CID 159534073
2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]-N-ethylpiperidine-1-carboxamide;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidine-1-carboxamide;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide
CID 160530934
2-amino-1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanone;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-fluoro-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[4-(1-ethylpiperidin-4-yl)-2-methyl-5-(trifluoromethyl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 160692374
2-[4-[4-[[5-chloro-4-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]acetamide;(2S)-3-[2-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;(3R,4R)-1-[3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]sulfonylpropyl]pyrrolidine-3,4-diol
CID 160733773
2-N-[4-(azetidin-3-yl)-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;5-chloro-2-N-[4-[1-[(2,2-difluorocyclopropyl)methyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]propanamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 160834875
2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-2-fluoro-5-methylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2-fluoro-5-methyl-4-(1-methylsulfonylpiperidin-4-yl)phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;1-[4-[4-[[5-chloro-4-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;2-[4-[2,5-dimethyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]ethanol
CID 160895100

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid (CID 161299075) is 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid is Cc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2cc(C(F)(F)F)n[nH]2)n1.Cc1cc(Cc2nc(Cc3cc(C(F)(F)F)c(C4CCN(C)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(C)C(=O)O)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCCS(=O)(=O)N5CCC5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCS(C)(=O)=O)CC4)cc3F)ncc2Cl)n[nH]1.
What is the InChIKey of 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid?
The InChIKey is VHJBQSCKAYHXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN8O2S.C23H24ClF4N5.C23H25ClF3N5.C23H29ClFN7O2S.C23H27ClFN7O2/c1-18-15-24(30-27-29-17-23(28)26(32-27)31-25-16-20(3)33-34-25)19(2)14-22(18)21-6-11-35(12-7-21)8-5-13-39(37,38)36-9-4-10-36;1-13-7-16(32-31-13)10-21-19(24)12-29-22(30-21)9-15-8-18(23(26,27)28)17(11-20(15)25)14-3-5-33(2)6-4-14;1-13-8-18(15-3-5-28-6-4-15)14(2)7-16(13)9-22-29-12-19(24)20(30-22)10-17-11-21(32-31-17)23(25,26)27;1-14-10-20(27-23-26-13-18(24)22(29-23)28-21-11-15(2)30-31-21)19(25)12-17(14)16-4-6-32(7-5-16)8-9-35(3,33)34;1-12-8-19(18(25)10-16(12)15-4-6-32(7-5-15)14(3)22(33)34)27-23-26-11-17(24)21(29-23)28-20-9-13(2)30-31-20/h14-17,21H,4-13H2,1-3H3,(H3,29,30,31,32,33,34);7-8,11-12,14H,3-6,9-10H2,1-2H3,(H,31,32);7-8,11-12,15,28H,3-6,9-10H2,1-2H3,(H,31,32);10-13,16H,4-9H2,1-3H3,(H3,26,27,28,29,30,31);8-11,14-15H,4-7H2,1-3H3,(H,33,34)(H3,26,27,28,29,30,31).
What are the key properties of 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid?
2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid has a molecular weight of 2529.04 g/mol, XLogP of 24.39, 35 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[1-[3-(azetidin-1-ylsulfonyl)propyl]piperidin-4-yl]-2,5-dimethylphenyl]-5-chloro-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrimidine;5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[2-fluoro-4-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)phenyl]methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidine;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 161299075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).