C151H211N42O22S5W- — CID 160744910
tert-butyl N-(1-aminopiperidin-3-yl)carbamate;tert-butyl N-(1-cyanopiperidin-3-yl)carbamate;tert-butyl N-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]carbamate;tert-butyl N-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]carbamate;carbanide;methyl 4-[[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]amino]butanoate;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]pyrrolidin-2-one;1-N-methyl-1-N-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-1,3-diamine;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pyrrolidin-2-one;tungsten (PubChem CID 160744910) has the molecular formula C151H211N42O22S5W- and a molecular weight of 3310.80 g/mol. Its IUPAC name is tert-butyl N-(1-aminopiperidin-3-yl)carbamate;tert-butyl N-(1-cyanopiperidin-3-yl)carbamate;tert-butyl N-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]carbamate;tert-butyl N-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]carbamate;carbanide;methyl 4-[[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]amino]butanoate;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]pyrrolidin-2-one;1-N-methyl-1-N-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-1,3-diamine;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pyrrolidin-2-one;tungsten.
| Compound Name | tert-butyl N-(1-aminopiperidin-3-yl)carbamate;tert-butyl N-(1-cyanopiperidin-3-yl)carbamate;tert-butyl N-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]carbamate;tert-butyl N-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]carbamate;carbanide;methyl 4-[[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]amino]butanoate;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]pyrrolidin-2-one;1-N-methyl-1-N-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-1,3-diamine;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pyrrolidin-2-one;tungsten |
|---|---|
| PubChem CID | 160744910 |
| Molecular Formula | C151H211N42O22S5W- |
| Molecular Weight | 3310.80 g/mol |
| Exact Mass | 3308.48 |
| IUPAC Name | tert-butyl N-(1-aminopiperidin-3-yl)carbamate;tert-butyl N-(1-cyanopiperidin-3-yl)carbamate;tert-butyl N-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]carbamate;tert-butyl N-[1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]carbamate;carbanide;methyl 4-[[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]amino]butanoate;1-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]pyrrolidin-2-one;1-N-methyl-1-N-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-1,3-diamine;1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]pyrrolidin-2-one;tungsten |
| SMILES | CC(C)(C)OC(=O)NC1CCCN(C#N)C1.CC(C)(C)OC(=O)NC1CCCN(N)C1.CN(c1ncnc2[nH]ccc12)N1CCCC(N2CCCC2=O)C1.COC(=O)CCCNC1CCCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(N)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(N5CCCC5=O)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N(C)N4CCCC(NC(=O)OC(C)(C)C)C4)ncnc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(NN4CCCC(NC(=O)OC(C)(C)C)C4)ncnc32)cc1.[CH3-].[W] |
| InChI | InChI=1S/2C24H32N6O4S.C23H30N6O4S.C23H28N6O3S.C19H24N6O2S.C16H22N6O.C11H19N3O2.C10H21N3O2.CH3.W/c1-17-8-10-19(11-9-17)35(32,33)30-14-12-20-21(25-16-26-22(20)30)28(5)29-13-6-7-18(15-29)27-23(31)34-24(2,3)4;1-18-8-10-20(11-9-18)35(32,33)30-15-12-21-23(26-17-27-24(21)30)28(2)29-14-5-6-19(16-29)25-13-4-7-22(31)34-3;1-16-7-9-18(10-8-16)34(31,32)29-13-11-19-20(24-15-25-21(19)29)27-28-12-5-6-17(14-28)26-22(30)33-23(2,3)4;1-17-7-9-19(10-8-17)33(31,32)29-14-11-20-22(24-16-25-23(20)29)26(2)27-12-3-5-18(15-27)28-13-4-6-21(28)30;1-14-5-7-16(8-6-14)28(26,27)25-11-9-17-18(21-13-22-19(17)25)23(2)24-10-3-4-15(20)12-24;1-20(16-13-6-7-17-15(13)18-11-19-16)21-8-2-4-12(10-21)22-9-3-5-14(22)23;1-11(2,3)16-10(15)13-9-5-4-6-14(7-9)8-12;1-10(2,3)15-9(14)12-8-5-4-6-13(11)7-8;;/h8-12,14,16,18H,6-7,13,15H2,1-5H3,(H,27,31);8-12,15,17,19,25H,4-7,13-14,16H2,1-3H3;7-11,13,15,17H,5-6,12,14H2,1-4H3,(H,26,30)(H,24,25,27);7-11,14,16,18H,3-6,12-13,15H2,1-2H3;5-9,11,13,15H,3-4,10,12,20H2,1-2H3;6-7,11-12H,2-5,8-10H2,1H3,(H,17,18,19);9H,4-7H2,1-3H3,(H,13,15);8H,4-7,11H2,1-3H3,(H,12,14);1H3;/q;;;;;;;;-1; |
| InChIKey | KWGXMCHBNSNEEN-UHFFFAOYSA-N |
| XLogP | 17.26 |
| TPSA | 728.07 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 57 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 221 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3310.80 |
| LogP ≤ 5 | 17.26 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 57 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'} |
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