dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate

C194H231Cl2Cs2N47O30S — CID 167707145

IUPACdicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate
SMILESCC(C)[C@H](N)C#N.CC1CCN(C(=O)OCc2ccccc2)CC1.CO.CS(=O)(=O)Cl.Cc1cnc(Cl)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Nc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1.O=C(OCc1ccccc1)N1CCC(O)CC1.O=C(OCc1ccccc1)N1CCC(n2cc([N+](=O)[O-])cn2)CC1.O=CO[O-].O=[N+]([O-])c1cn[nH]c1.[Cs+].[Cs+].[H-]
InChIInChI=1S/C33H36N8O3.C28H28N6O4.C26H32N8O.C25H30N8O.C16H18N4O4.C16H20N4O2.C14H19NO2.C13H17NO3.C12H9ClN2O2.C5H10N2.C3H3N3O2.CH3ClO2S.CH2O3.CH4O.2Cs.H/c1-22(2)29(17-34)38-31(42)26-11-9-25(10-12-26)30-23(3)18-35-32(39-30)37-27-19-36-41(20-27)28-13-15-40(16-14-28)33(43)44-21-24-7-5-4-6-8-24;1-19-15-29-27(32-25(19)21-7-9-22(10-8-21)26(35)36)31-23-16-30-34(17-23)24-11-13-33(14-12-24)28(37)38-18-20-5-3-2-4-6-20;1-17(2)23(13-27)31-25(35)20-7-5-19(6-8-20)24-18(3)14-28-26(32-24)30-21-15-29-34(16-21)22-9-11-33(4)12-10-22;1-16(2)22(12-26)31-24(34)19-6-4-18(5-7-19)23-17(3)13-28-25(32-23)30-20-14-29-33(15-20)21-8-10-27-11-9-21;21-16(24-12-13-4-2-1-3-5-13)18-8-6-14(7-9-18)19-11-15(10-17-19)20(22)23;17-14-10-18-20(11-14)15-6-8-19(9-7-15)16(21)22-12-13-4-2-1-3-5-13;1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;1-7-6-14-12(13)15-10(7)8-2-4-9(5-3-8)11(16)17;1-4(2)5(7)3-6;7-6(8)3-1-4-5-2-3;1-5(2,3)4;2-1-4-3;1-2;;;/h4-12,18-20,22,28-29H,13-16,21H2,1-3H3,(H,38,42)(H,35,37,39);2-10,15-17,24H,11-14,18H2,1H3,(H,35,36)(H,29,31,32);5-8,14-17,22-23H,9-12H2,1-4H3,(H,31,35)(H,28,30,32);4-7,13-16,21-22,27H,8-11H2,1-3H3,(H,31,34)(H,28,30,32);1-5,10-11,14H,6-9,12H2;1-5,10-11,15H,6-9,12,17H2;2-6,12H,7-11H2,1H3;1-5,12,15H,6-10H2;2-6H,1H3,(H,16,17);4-5H,7H2,1-2H3;1-2H,(H,4,5);1H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;;;2*+1;-1/p-1/t29-;;23-;22-;;;;;;5-;;;;;;;/m1.11.....1......./s1
InChIKeyYZTMYNJIZVDCCO-IQSGLARBSA-M
MW4070.06 g/mol
LogP24.24
Rot. Bonds46

About dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate

dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate (PubChem CID 167707145) has the molecular formula C194H231Cl2Cs2N47O30S and a molecular weight of 4070.06 g/mol. Its IUPAC name is dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate.

Molecular Properties

Compound Namedicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate
PubChem CID167707145
Molecular FormulaC194H231Cl2Cs2N47O30S
Molecular Weight4070.06 g/mol
Exact Mass4066.52
IUPAC Namedicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate
SMILESCC(C)[C@H](N)C#N.CC1CCN(C(=O)OCc2ccccc2)CC1.CO.CS(=O)(=O)Cl.Cc1cnc(Cl)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Nc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1.O=C(OCc1ccccc1)N1CCC(O)CC1.O=C(OCc1ccccc1)N1CCC(n2cc([N+](=O)[O-])cn2)CC1.O=CO[O-].O=[N+]([O-])c1cn[nH]c1.[Cs+].[Cs+].[H-]
InChIInChI=1S/C33H36N8O3.C28H28N6O4.C26H32N8O.C25H30N8O.C16H18N4O4.C16H20N4O2.C14H19NO2.C13H17NO3.C12H9ClN2O2.C5H10N2.C3H3N3O2.CH3ClO2S.CH2O3.CH4O.2Cs.H/c1-22(2)29(17-34)38-31(42)26-11-9-25(10-12-26)30-23(3)18-35-32(39-30)37-27-19-36-41(20-27)28-13-15-40(16-14-28)33(43)44-21-24-7-5-4-6-8-24;1-19-15-29-27(32-25(19)21-7-9-22(10-8-21)26(35)36)31-23-16-30-34(17-23)24-11-13-33(14-12-24)28(37)38-18-20-5-3-2-4-6-20;1-17(2)23(13-27)31-25(35)20-7-5-19(6-8-20)24-18(3)14-28-26(32-24)30-21-15-29-34(16-21)22-9-11-33(4)12-10-22;1-16(2)22(12-26)31-24(34)19-6-4-18(5-7-19)23-17(3)13-28-25(32-23)30-20-14-29-33(15-20)21-8-10-27-11-9-21;21-16(24-12-13-4-2-1-3-5-13)18-8-6-14(7-9-18)19-11-15(10-17-19)20(22)23;17-14-10-18-20(11-14)15-6-8-19(9-7-15)16(21)22-12-13-4-2-1-3-5-13;1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;1-7-6-14-12(13)15-10(7)8-2-4-9(5-3-8)11(16)17;1-4(2)5(7)3-6;7-6(8)3-1-4-5-2-3;1-5(2,3)4;2-1-4-3;1-2;;;/h4-12,18-20,22,28-29H,13-16,21H2,1-3H3,(H,38,42)(H,35,37,39);2-10,15-17,24H,11-14,18H2,1H3,(H,35,36)(H,29,31,32);5-8,14-17,22-23H,9-12H2,1-4H3,(H,31,35)(H,28,30,32);4-7,13-16,21-22,27H,8-11H2,1-3H3,(H,31,34)(H,28,30,32);1-5,10-11,14H,6-9,12H2;1-5,10-11,15H,6-9,12,17H2;2-6,12H,7-11H2,1H3;1-5,12,15H,6-10H2;2-6H,1H3,(H,16,17);4-5H,7H2,1-2H3;1-2H,(H,4,5);1H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;;;2*+1;-1/p-1/t29-;;23-;22-;;;;;;5-;;;;;;;/m1.11.....1......./s1
InChIKeyYZTMYNJIZVDCCO-IQSGLARBSA-M
XLogP24.24
TPSA1024.47 Ų
H-Bond Donors15
H-Bond Acceptors63
Rotatable Bonds46
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004070.06
LogP ≤ 524.24
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1063

Analyze dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate with MolForge

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Related Compounds

ethyl 4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoate;4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide;oxan-4-yl methanesulfonate;(2S)-1,1,1-trifluoropropan-2-amine;hydrochloride
CID 167620126
dicesium;tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylsulfonyloxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(4-nitropyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;hydride;methane;methanesulfonyl chloride;methanol;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;4-nitro-1H-pyrazole;3-(4-nitropyrazol-1-yl)-8-azabicyclo[3.2.1]octane;3-(4-nitropyrazol-1-yl)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane;oxido formate;2,2,2-trifluoroacetaldehyde;1-[8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazol-4-amine;1,1,1-trifluoropropane
CID 167653294
lithium;(2S)-2-aminobutanenitrile;benzyl carbonochloridate;benzyl 4-[4-[[5-chloro-4-[4-[[(1S)-1-cyanopropyl]carbamoyl]phenyl]pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[5-chloro-4-(4-methoxycarbonylphenyl)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;4-[5-chloro-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide;N,N-diethylethanamine;methanol;methyl 4-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide
CID 167532870
CID 167545613
CID 167545613
dicesium;1-(aminomethyl)cyclopropane-1-carbonitrile;ethanol;ethyl 4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoate;hydride;N-[(1-isocyanocyclopropyl)methyl]-4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;methane;4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoic acid;oxan-4-yl methanesulfonate;oxido formate
CID 167562457
sodium;tert-butyl 4-aminopyrazole-1-carboxylate;tert-butyl 4-[[4-(4-methoxycarbonylphenyl)-5-methylpyrimidin-2-yl]amino]pyrazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 4-nitropyrazole-1-carboxylate;2-chloroacetonitrile;4-[4-[2-[[1-(cyanomethyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]phenyl]-4-oxobutanenitrile;deuterio(fluoro)methane;methane;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoic acid;4-[4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-nitro-1H-pyrazole;hydroxide
CID 167565038
(2S)-2-aminopentanenitrile;benzyl 4-[4-[[4-[4-[[(1S)-1-cyanobutyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;N-[(1S)-1-cyanobutyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;4-methylbenzenesulfonic acid;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid
CID 167566105
lithium;2-aminoacetonitrile;N-(cyanomethyl)-4-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]-2-fluorobenzamide;cyclopropylboronic acid;1-cyclopropyl-4-nitropyrazole;1-cyclopropylpyrazol-4-amine;4-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]-2-fluorobenzoic acid;methane;methyl 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-fluorobenzoate;methyl 4-[2-[(1-cyclopropylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]-2-fluorobenzoate;molecular hydrogen;4-nitro-2H-pyrrole;hydroxide;dihydrochloride
CID 167568352
lithium;2-aminoacetonitrile;butyl 4-[2-[[1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;(2S,6R)-2,6-dimethyloxan-4-ol;[(2S,6R)-2,6-dimethyloxan-4-yl] methanesulfonate;1-[(2R,6S)-2,6-dimethyloxan-4-yl]-4-nitropyrazole;1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-4-amine;4-[2-[[1-[(2R,6S)-2,6-dimethyloxan-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid;2,6-dimethylpyran-4-one;methanesulfonyl chloride;4-nitro-1H-pyrazole;hydroxide;hydrochloride
CID 167573117
lithium;benzyl carbonochloridate;benzyl 4-[4-[[4-[4-[(3R)-3-cyanobutanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-[4-[[4-(4-methoxycarbonylphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;hydroxylamine;methane;methanol;methyl 4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;(2S)-2-(4-methylphenyl)sulfonylpropanenitrile;hydroxide
CID 167586484
lithium;(2S)-2-hydroxypropanenitrile;4-methylbenzenesulfonamide;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;(2R)-2-methyl-4-[4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(1-methylpiperidin-4-yl)pyrazol-4-amine;hydroxide
CID 167587913
Tert-butyl 3-(4-aminopyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[4-[[4-(4-methoxycarbonylphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(4-nitropyrazol-1-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate;methyl 4-[2-[[1-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;1-methylcyclopropane-1-carboxylic acid;molecular hydrogen;hydrochloride
CID 167598361

Frequently Asked Questions

What is the IUPAC name of dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate?
The IUPAC name of dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate (CID 167707145) is dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate.
What is the SMILES notation for dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate?
The canonical SMILES for dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate is CC(C)[C@H](N)C#N.CC1CCN(C(=O)OCc2ccccc2)CC1.CO.CS(=O)(=O)Cl.Cc1cnc(Cl)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(C(=O)N[C@H](C#N)C(C)C)cc1.Nc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1.O=C(OCc1ccccc1)N1CCC(O)CC1.O=C(OCc1ccccc1)N1CCC(n2cc([N+](=O)[O-])cn2)CC1.O=CO[O-].O=[N+]([O-])c1cn[nH]c1.[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate?
The InChIKey is YZTMYNJIZVDCCO-IQSGLARBSA-M. The full InChI is InChI=1S/C33H36N8O3.C28H28N6O4.C26H32N8O.C25H30N8O.C16H18N4O4.C16H20N4O2.C14H19NO2.C13H17NO3.C12H9ClN2O2.C5H10N2.C3H3N3O2.CH3ClO2S.CH2O3.CH4O.2Cs.H/c1-22(2)29(17-34)38-31(42)26-11-9-25(10-12-26)30-23(3)18-35-32(39-30)37-27-19-36-41(20-27)28-13-15-40(16-14-28)33(43)44-21-24-7-5-4-6-8-24;1-19-15-29-27(32-25(19)21-7-9-22(10-8-21)26(35)36)31-23-16-30-34(17-23)24-11-13-33(14-12-24)28(37)38-18-20-5-3-2-4-6-20;1-17(2)23(13-27)31-25(35)20-7-5-19(6-8-20)24-18(3)14-28-26(32-24)30-21-15-29-34(16-21)22-9-11-33(4)12-10-22;1-16(2)22(12-26)31-24(34)19-6-4-18(5-7-19)23-17(3)13-28-25(32-23)30-20-14-29-33(15-20)21-8-10-27-11-9-21;21-16(24-12-13-4-2-1-3-5-13)18-8-6-14(7-9-18)19-11-15(10-17-19)20(22)23;17-14-10-18-20(11-14)15-6-8-19(9-7-15)16(21)22-12-13-4-2-1-3-5-13;1-12-7-9-15(10-8-12)14(16)17-11-13-5-3-2-4-6-13;15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11;1-7-6-14-12(13)15-10(7)8-2-4-9(5-3-8)11(16)17;1-4(2)5(7)3-6;7-6(8)3-1-4-5-2-3;1-5(2,3)4;2-1-4-3;1-2;;;/h4-12,18-20,22,28-29H,13-16,21H2,1-3H3,(H,38,42)(H,35,37,39);2-10,15-17,24H,11-14,18H2,1H3,(H,35,36)(H,29,31,32);5-8,14-17,22-23H,9-12H2,1-4H3,(H,31,35)(H,28,30,32);4-7,13-16,21-22,27H,8-11H2,1-3H3,(H,31,34)(H,28,30,32);1-5,10-11,14H,6-9,12H2;1-5,10-11,15H,6-9,12,17H2;2-6,12H,7-11H2,1H3;1-5,12,15H,6-10H2;2-6H,1H3,(H,16,17);4-5H,7H2,1-2H3;1-2H,(H,4,5);1H3;1,3H;2H,1H3;;;/q;;;;;;;;;;;;;;2*+1;-1/p-1/t29-;;23-;22-;;;;;;5-;;;;;;;/m1.11.....1......./s1.
What are the key properties of dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate?
dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate has a molecular weight of 4070.06 g/mol, XLogP of 24.24, 46 rotatable bonds, 15 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;(2S)-2-amino-3-methylbutanenitrile;benzyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;benzyl 4-[4-[[4-[4-[[(1S)-1-cyano-2-methylpropyl]carbamoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;benzyl 4-hydroxypiperidine-1-carboxylate;benzyl 4-methylpiperidine-1-carboxylate;benzyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate;4-(2-chloro-5-methylpyrimidin-4-yl)benzoic acid;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;N-[(1S)-1-cyano-2-methylpropyl]-4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide;hydride;methanesulfonyl chloride;methanol;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-nitro-1H-pyrazole;oxido formate is sourced from PubChem (CID 167707145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).