2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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

C95H120Cl4F4N30O6S2 — CID 162021429

IUPAC2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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
SMILESCCC(=O)CN1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C(F)(F)F)[nH]n4)n3)cc2C)CC1.COc1cc(Nc2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)c(C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCS(N)(=O)=O)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(Cl)c(C4CCN(CCS(=O)(=O)N5CCC5)CC4)cc3C)ncc2C)n[nH]1
InChIInChI=1S/C26H35ClN8O2S.C25H29ClF3N7O.C22H28ClFN8O2S.C22H28ClN7O/c1-17-13-21(20-5-9-34(10-6-20)11-12-38(36,37)35-7-4-8-35)22(27)15-23(17)29-26-28-16-18(2)25(31-26)30-24-14-19(3)32-33-24;1-4-17(37)13-36-7-5-16(6-8-36)18-9-15(3)20(10-14(18)2)31-24-30-12-19(26)23(33-24)32-22-11-21(34-35-22)25(27,28)29;1-13-9-19(27-22-26-12-17(23)21(29-22)28-20-10-14(2)30-31-20)18(24)11-16(13)15-3-5-32(6-4-15)7-8-35(25,33)34;1-13-9-16(15-5-7-30(3)8-6-15)19(31-4)11-18(13)25-22-24-12-17(23)21(27-22)26-20-10-14(2)28-29-20/h13-16,20H,4-12H2,1-3H3,(H3,28,29,30,31,32,33);9-12,16H,4-8,13H2,1-3H3,(H3,30,31,32,33,34,35);9-12,15H,3-8H2,1-2H3,(H2,25,33,34)(H3,26,27,28,29,30,31);9-12,15H,5-8H2,1-4H3,(H3,24,25,26,27,28,29)
InChIKeyYUUKNVLXCCUDHX-UHFFFAOYSA-N
MW2060.15 g/mol
LogP18.95
Rot. Bonds31

About 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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 (PubChem CID 162021429) has the molecular formula C95H120Cl4F4N30O6S2 and a molecular weight of 2060.15 g/mol. Its IUPAC name is 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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.

Molecular Properties

Compound Name2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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
PubChem CID162021429
Molecular FormulaC95H120Cl4F4N30O6S2
Molecular Weight2060.15 g/mol
Exact Mass2056.81
IUPAC Name2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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
SMILESCCC(=O)CN1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C(F)(F)F)[nH]n4)n3)cc2C)CC1.COc1cc(Nc2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)c(C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCS(N)(=O)=O)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(Cl)c(C4CCN(CCS(=O)(=O)N5CCC5)CC4)cc3C)ncc2C)n[nH]1
InChIInChI=1S/C26H35ClN8O2S.C25H29ClF3N7O.C22H28ClFN8O2S.C22H28ClN7O/c1-17-13-21(20-5-9-34(10-6-20)11-12-38(36,37)35-7-4-8-35)22(27)15-23(17)29-26-28-16-18(2)25(31-26)30-24-14-19(3)32-33-24;1-4-17(37)13-36-7-5-16(6-8-36)18-9-15(3)20(10-14(18)2)31-24-30-12-19(26)23(33-24)32-22-11-21(34-35-22)25(27,28)29;1-13-9-19(27-22-26-12-17(23)21(29-22)28-20-10-14(2)30-31-20)18(24)11-16(13)15-3-5-32(6-4-15)7-8-35(25,33)34;1-13-9-16(15-5-7-30(3)8-6-15)19(31-4)11-18(13)25-22-24-12-17(23)21(27-22)26-20-10-14(2)28-29-20/h13-16,20H,4-12H2,1-3H3,(H3,28,29,30,31,32,33);9-12,16H,4-8,13H2,1-3H3,(H3,30,31,32,33,34,35);9-12,15H,3-8H2,1-2H3,(H2,25,33,34)(H3,26,27,28,29,30,31);9-12,15H,5-8H2,1-4H3,(H3,24,25,26,27,28,29)
InChIKeyYUUKNVLXCCUDHX-UHFFFAOYSA-N
XLogP18.95
TPSA450.88 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002060.15
LogP ≤ 518.95
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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 with MolForge

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Launch Full Analysis

Related Compounds

(2R)-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;(2R)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;ethyl 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidine-1-carboxylate;propan-2-yl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carboxylate
CID 158067980
1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-4-pyrrolidin-1-ylbutan-1-one;(2R)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;ethyl 4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidine-1-carboxylate;ethyl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carboxylate;propan-2-yl 4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carboxylate
CID 158549203
5-chloro-2-N-[4-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylphenyl]-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]-N-methylpropanamide;(2S)-3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-1,1,1-trifluoropropan-2-ol;2-[4-[5-fluoro-2-methyl-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]propanamide
CID 158753595
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;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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
CID 159198740
2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]propanamide;2-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-4-methylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;2-[(3S)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide
CID 160087873
5-chloro-2-N-[2-fluoro-5-methyl-4-[1-(oxan-4-yl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;2-[4-[5-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-fluoro-4-methylphenyl]piperidin-1-yl]propanamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide;2-[(3S)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide
CID 160509834
1-[4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]piperidin-1-yl]butan-2-one;4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidine-1-carbaldehyde;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-N-methylacetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methyl-2-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide;2-[(3R)-3-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-N-methylacetamide
CID 160784356
7-tert-butyl-4-chloro-1-methylindazole;(7-tert-butyl-4-chloro-1-methylindazol-3-yl)methyl-methyl-methylidene-oxo-lambda6-sulfane;7-tert-butyl-4-chloro-1-methyl-3-(methylsulfonylmethyl)indazole;[7-tert-butyl-4-(difluoromethyl)-1-methylindazol-3-yl]methyl-methyl-methylidene-oxo-lambda6-sulfane;8-tert-butyl-3-(1-fluoroethyl)-[1,2,4]triazolo[4,3-a]pyridine;(7-tert-butyl-4-fluoro-2H-indazol-3-yl)methyl-methyl-methylidene-oxo-lambda6-sulfane;(7-tert-butyl-4-methoxy-1-methylindazol-3-yl)methyl-methyl-methylidene-oxo-lambda6-sulfane;(7-tert-butyl-1-methylindazol-3-yl)methyl-methyl-methylidene-oxo-lambda6-sulfane;(8-tert-butyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl-methyl-methylidene-oxo-lambda6-sulfane;(8-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl-methyl-methylidene-oxo-lambda6-sulfane
CID 157549339
1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one;1-[4-[2,5-dichloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 158147872
1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[2,5-dichloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 160410306
2-[4-[4-[[5-chloro-4-[(5-ethyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]acetamide;2-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]acetamide;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]piperidin-1-yl]-2-pyrrol-1-ylethanone
CID 161093153
1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2,5-dimethylphenyl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;1-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-methoxy-5-methylphenyl]piperidin-1-yl]-2-(dimethylamino)ethanone;3-[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]methyl]-2,5-dimethylphenyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one;1-[4-[2,5-dichloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 161537178

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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?
The IUPAC name of 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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 (CID 162021429) is 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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.
What is the SMILES notation for 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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?
The canonical SMILES for 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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 is CCC(=O)CN1CCC(c2cc(C)c(Nc3ncc(Cl)c(Nc4cc(C(F)(F)F)[nH]n4)n3)cc2C)CC1.COc1cc(Nc2ncc(Cl)c(Nc3cc(C)[nH]n3)n2)c(C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CCS(N)(=O)=O)CC4)cc3F)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(Cl)c(C4CCN(CCS(=O)(=O)N5CCC5)CC4)cc3C)ncc2C)n[nH]1.
What is the InChIKey of 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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?
The InChIKey is YUUKNVLXCCUDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN8O2S.C25H29ClF3N7O.C22H28ClFN8O2S.C22H28ClN7O/c1-17-13-21(20-5-9-34(10-6-20)11-12-38(36,37)35-7-4-8-35)22(27)15-23(17)29-26-28-16-18(2)25(31-26)30-24-14-19(3)32-33-24;1-4-17(37)13-36-7-5-16(6-8-36)18-9-15(3)20(10-14(18)2)31-24-30-12-19(26)23(33-24)32-22-11-21(34-35-22)25(27,28)29;1-13-9-19(27-22-26-12-17(23)21(29-22)28-20-10-14(2)30-31-20)18(24)11-16(13)15-3-5-32(6-4-15)7-8-35(25,33)34;1-13-9-16(15-5-7-30(3)8-6-15)19(31-4)11-18(13)25-22-24-12-17(23)21(27-22)26-20-10-14(2)28-29-20/h13-16,20H,4-12H2,1-3H3,(H3,28,29,30,31,32,33);9-12,16H,4-8,13H2,1-3H3,(H3,30,31,32,33,34,35);9-12,15H,3-8H2,1-2H3,(H2,25,33,34)(H3,26,27,28,29,30,31);9-12,15H,5-8H2,1-4H3,(H3,24,25,26,27,28,29).
What are the key properties of 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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 has a molecular weight of 2060.15 g/mol, XLogP of 18.95, 31 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-[1-[2-(azetidin-1-ylsulfonyl)ethyl]piperidin-4-yl]-5-chloro-2-methylphenyl]-5-methyl-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[5-methoxy-2-methyl-4-(1-methylpiperidin-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]-5-fluoro-2-methylphenyl]piperidin-1-yl]ethanesulfonamide;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 is sourced from PubChem (CID 162021429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).