tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

C169H201F3N40O26S5 — CID 158576976

IUPACtert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc3c(Nc4ccc(S(=O)(=O)C5CC5)cc4F)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CCCCC(CC)COC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1ccccc1COC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1nc(S(C)(=O)=O)ccc1Nc1ncnc2c1ccn2C1CCN(C(=O)OC(C)(C)C)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)OCCOCc2ccccc2)CC1.O=S(=O)(c1ccc(Nc2ncnc3c2ncn3C2CCN(S(=O)(=O)C3CC3)CC2)c(F)n1)C1CC1
InChIInChI=1S/C27H29N5O4.C26H27N5O3.C26H35N5O3.C24H29FN6O4S.C23H30N6O4S.C22H27FN6O4S.C21H24FN7O4S2/c1-20-24(8-5-12-28-20)36-26-23-11-15-32(25(23)29-19-30-26)22-9-13-31(14-10-22)27(33)35-17-16-34-18-21-6-3-2-4-7-21;1-18-6-3-4-7-20(18)16-33-26(32)30-13-9-21(10-14-30)31-15-11-22-24(31)28-17-29-25(22)34-23-8-5-12-27-19(23)2;1-4-6-8-20(5-2)17-33-26(32)30-14-10-21(11-15-30)31-16-12-22-24(31)28-18-29-25(22)34-23-9-7-13-27-19(23)3;1-24(2,3)35-23(32)30-10-8-15(9-11-30)31-14-28-20-21(26-13-27-22(20)31)29-19-7-6-17(12-18(19)25)36(33,34)16-4-5-16;1-15-18(6-7-19(26-15)34(5,31)32)27-20-17-10-13-29(21(17)25-14-24-20)16-8-11-28(12-9-16)22(30)33-23(2,3)4;1-22(2,3)33-21(30)28-9-7-14(8-10-28)29-20-16(12-26-29)19(24-13-25-20)27-18-6-5-15(11-17(18)23)34(4,31)32;22-19-16(5-6-17(27-19)34(30,31)14-1-2-14)26-20-18-21(24-11-23-20)29(12-25-18)13-7-9-28(10-8-13)35(32,33)15-3-4-15/h2-8,11-12,15,19,22H,9-10,13-14,16-18H2,1H3;3-8,11-12,15,17,21H,9-10,13-14,16H2,1-2H3;7,9,12-13,16,18,20-21H,4-6,8,10-11,14-15,17H2,1-3H3;6-7,12-16H,4-5,8-11H2,1-3H3,(H,26,27,29);6-7,10,13-14,16H,8-9,11-12H2,1-5H3,(H,24,25,27);5-6,11-14H,7-10H2,1-4H3,(H,24,25,27);5-6,11-15H,1-4,7-10H2,(H,23,24,26)
InChIKeyHSTYKNMBVAMATP-UHFFFAOYSA-N
MW3426.05 g/mol
LogP29.97
Rot. Bonds42

About tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 158576976) has the molecular formula C169H201F3N40O26S5 and a molecular weight of 3426.05 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
PubChem CID158576976
Molecular FormulaC169H201F3N40O26S5
Molecular Weight3426.05 g/mol
Exact Mass3423.42
IUPAC Nametert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cnc3c(Nc4ccc(S(=O)(=O)C5CC5)cc4F)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CCCCC(CC)COC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1ccccc1COC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1nc(S(C)(=O)=O)ccc1Nc1ncnc2c1ccn2C1CCN(C(=O)OC(C)(C)C)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)OCCOCc2ccccc2)CC1.O=S(=O)(c1ccc(Nc2ncnc3c2ncn3C2CCN(S(=O)(=O)C3CC3)CC2)c(F)n1)C1CC1
InChIInChI=1S/C27H29N5O4.C26H27N5O3.C26H35N5O3.C24H29FN6O4S.C23H30N6O4S.C22H27FN6O4S.C21H24FN7O4S2/c1-20-24(8-5-12-28-20)36-26-23-11-15-32(25(23)29-19-30-26)22-9-13-31(14-10-22)27(33)35-17-16-34-18-21-6-3-2-4-7-21;1-18-6-3-4-7-20(18)16-33-26(32)30-13-9-21(10-14-30)31-15-11-22-24(31)28-17-29-25(22)34-23-8-5-12-27-19(23)2;1-4-6-8-20(5-2)17-33-26(32)30-14-10-21(11-15-30)31-16-12-22-24(31)28-18-29-25(22)34-23-9-7-13-27-19(23)3;1-24(2,3)35-23(32)30-10-8-15(9-11-30)31-14-28-20-21(26-13-27-22(20)31)29-19-7-6-17(12-18(19)25)36(33,34)16-4-5-16;1-15-18(6-7-19(26-15)34(5,31)32)27-20-17-10-13-29(21(17)25-14-24-20)16-8-11-28(12-9-16)22(30)33-23(2,3)4;1-22(2,3)33-21(30)28-9-7-14(8-10-28)29-20-16(12-26-29)19(24-13-25-20)27-18-6-5-15(11-17(18)23)34(4,31)32;22-19-16(5-6-17(27-19)34(30,31)14-1-2-14)26-20-18-21(24-11-23-20)29(12-25-18)13-7-9-28(10-8-13)35(32,33)15-3-4-15/h2-8,11-12,15,19,22H,9-10,13-14,16-18H2,1H3;3-8,11-12,15,17,21H,9-10,13-14,16H2,1-2H3;7,9,12-13,16,18,20-21H,4-6,8,10-11,14-15,17H2,1-3H3;6-7,12-16H,4-5,8-11H2,1-3H3,(H,26,27,29);6-7,10,13-14,16H,8-9,11-12H2,1-5H3,(H,24,25,27);5-6,11-14H,7-10H2,1-4H3,(H,24,25,27);5-6,11-15H,1-4,7-10H2,(H,23,24,26)
InChIKeyHSTYKNMBVAMATP-UHFFFAOYSA-N
XLogP29.97
TPSA754.31 Ų
H-Bond Donors4
H-Bond Acceptors59
Rotatable Bonds42
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003426.05
LogP ≤ 529.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1059

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;1-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropane-1-carbonitrile;N-[3-ethylsulfonyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]imidazo[1,2-a]pyridin-7-yl]cyclopropanesulfonamide
CID 158029675
tert-butyl (1S,5S)-3-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl (1S,5S)-3-[7-[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;4-[[(1S,5S)-8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-7-(2-fluoro-4-methylsulfonylphenyl)pyrrolo[2,3-d]pyrimidine;2,2-difluoro-1-[(1S,5S)-3-[7-[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one;propan-2-yl (1S,5S)-3-[[7-(2-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]-8-azabicyclo[3.2.1]octane-8-carboxylate;propan-2-yl (1S,5S)-3-[7-[2-methyl-6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 159469629
3-(1-benzylpiperidin-4-yl)-N-(2-fluoro-4-methylsulfonylphenyl)triazolo[4,5-d]pyrimidin-7-amine;tert-butyl 4-[4-(4-methylsulfonylphenoxy)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;ethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;heptyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methoxyphenyl) 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(4-methylphenyl) 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[4-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2,2,3-trifluoro-3-methylcyclobutyl) 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 161737410
CID 157165963
CID 157165963
N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-amine;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(3-morpholin-4-ylpropoxy)-1,5-naphthyridin-4-amine
CID 157517196
tert-butyl 4-[6-(2-fluoro-4-methylsulfonylanilino)-8-oxo-7H-purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;(2-chlorophenyl) 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;cyclopentyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(4-methoxyphenyl) 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(4-methylphenyl) 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;octyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate
CID 157688932
9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 157862378
N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 158199294
2-cyclopropyl-8-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,3]thiazolo[4,5-c]quinoline;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-(2-methoxyethyl)-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one;4-(2-methoxyethyl)-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;4-methyl-9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-[1,4]oxazino[3,2-c]quinolin-3-one;9-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4H-[1,4]oxazino[3,2-c]quinolin-3-one
CID 158482991
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenyl]methoxy]-1,3-thiazole;5-[4-[(2R)-4-(3-fluoro-4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;N-(2-fluoro-4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine;5-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;propan-2-yl 4-[6-[(2,6-dimethyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[1-(2-fluoro-4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate;bis(sulfur dioxide)
CID 158687011
bis(7,8-dimethyl-6-[5-[4-[2-(1-methylsulfonylcyclopropyl)ethyl]cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine);4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-[(1-methylsulfonylcyclopropyl)methyl]cyclohexan-1-amine;bis(8-methoxy-6-[5-[4-[2-(1-methylsulfonylcyclopropyl)ethyl]cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine)
CID 158696076
tert-butyl 4-[3-(3-fluoro-4-methylsulfinylphenoxy)propyl]piperidine-1-carboxylate;2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(triazol-1-yl)phenoxy]methyl]-1,3-thiazole;5-[4-[(1R,2R)-2-[(2-fluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;5-[4-[(1R,2R)-2-[(3-fluoro-4-methylsulfonylphenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;5-[4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 158772572

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate (CID 158576976) is tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cnc3c(Nc4ccc(S(=O)(=O)C5CC5)cc4F)ncnc32)CC1.CC(C)(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1.CCCCC(CC)COC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1ccccc1COC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.Cc1nc(S(C)(=O)=O)ccc1Nc1ncnc2c1ccn2C1CCN(C(=O)OC(C)(C)C)CC1.Cc1ncccc1Oc1ncnc2c1ccn2C1CCN(C(=O)OCCOCc2ccccc2)CC1.O=S(=O)(c1ccc(Nc2ncnc3c2ncn3C2CCN(S(=O)(=O)C3CC3)CC2)c(F)n1)C1CC1.
What is the InChIKey of tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The InChIKey is HSTYKNMBVAMATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4.C26H27N5O3.C26H35N5O3.C24H29FN6O4S.C23H30N6O4S.C22H27FN6O4S.C21H24FN7O4S2/c1-20-24(8-5-12-28-20)36-26-23-11-15-32(25(23)29-19-30-26)22-9-13-31(14-10-22)27(33)35-17-16-34-18-21-6-3-2-4-7-21;1-18-6-3-4-7-20(18)16-33-26(32)30-13-9-21(10-14-30)31-15-11-22-24(31)28-17-29-25(22)34-23-8-5-12-27-19(23)2;1-4-6-8-20(5-2)17-33-26(32)30-14-10-21(11-15-30)31-16-12-22-24(31)28-18-29-25(22)34-23-9-7-13-27-19(23)3;1-24(2,3)35-23(32)30-10-8-15(9-11-30)31-14-28-20-21(26-13-27-22(20)31)29-19-7-6-17(12-18(19)25)36(33,34)16-4-5-16;1-15-18(6-7-19(26-15)34(5,31)32)27-20-17-10-13-29(21(17)25-14-24-20)16-8-11-28(12-9-16)22(30)33-23(2,3)4;1-22(2,3)33-21(30)28-9-7-14(8-10-28)29-20-16(12-26-29)19(24-13-25-20)27-18-6-5-15(11-17(18)23)34(4,31)32;22-19-16(5-6-17(27-19)34(30,31)14-1-2-14)26-20-18-21(24-11-23-20)29(12-25-18)13-7-9-28(10-8-13)35(32,33)15-3-4-15/h2-8,11-12,15,19,22H,9-10,13-14,16-18H2,1H3;3-8,11-12,15,17,21H,9-10,13-14,16H2,1-2H3;7,9,12-13,16,18,20-21H,4-6,8,10-11,14-15,17H2,1-3H3;6-7,12-16H,4-5,8-11H2,1-3H3,(H,26,27,29);6-7,10,13-14,16H,8-9,11-12H2,1-5H3,(H,24,25,27);5-6,11-14H,7-10H2,1-4H3,(H,24,25,27);5-6,11-15H,1-4,7-10H2,(H,23,24,26).
What are the key properties of tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 3426.05 g/mol, XLogP of 29.97, 42 rotatable bonds, 4 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)purin-9-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(2-fluoro-4-methylsulfonylanilino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-fluoro-3-pyridinyl)-9-(1-cyclopropylsulfonylpiperidin-4-yl)purin-6-amine;2-ethylhexyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;(2-methylphenyl)methyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate;2-phenylmethoxyethyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158576976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).