1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten

C128H175Cl2N32O29S3W- — CID 158442532

IUPAC1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)C1.CCOC(=O)C1CCN(C#N)C1.CCOC(=O)C1CCN(C(=O)OC(C)(C)C)C1.CCOC(=O)C1CCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CCOC(=O)C1CCN(N)C1.CCOC(=O)C1CCN(Nc2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CCOC(=O)C1CCNC1.CCOC(=O)Cl.CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC#N)C1.CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)O)C1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1.[CH3-].[W]
InChIInChI=1S/C21H25N5O4S.C20H23N5O4S.C14H17N7O.C13H10ClN3O2S.C12H15N5O2.C12H21NO4.C10H17NO4.C8H12N2O2.C7H14N2O2.C7H13NO2.C3H5ClO2.CH3.W/c1-4-30-21(27)16-9-11-25(13-16)24(3)19-18-10-12-26(20(18)23-14-22-19)31(28,29)17-7-5-15(2)6-8-17;1-3-29-20(26)15-8-10-24(12-15)23-18-17-9-11-25(19(17)22-13-21-18)30(27,28)16-6-4-14(2)5-7-16;1-20(13-11-2-5-16-12(11)18-9-19-13)21-7-3-10(8-21)14(22)17-6-4-15;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17;1-16(17-5-3-8(6-17)12(18)19)11-9-2-4-13-10(9)14-7-15-11;1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4;1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13;1-2-12-8(11)7-3-4-10(5-7)6-9;1-2-11-7(10)6-3-4-9(8)5-6;1-2-10-7(9)6-3-4-8-5-6;1-2-6-3(4)5;;/h5-8,10,12,14,16H,4,9,11,13H2,1-3H3;4-7,9,11,13,15H,3,8,10,12H2,1-2H3,(H,21,22,23);2,5,9-10H,3,6-8H2,1H3,(H,17,22)(H,16,18,19);2-8H,1H3;2,4,7-8H,3,5-6H2,1H3,(H,18,19)(H,13,14,15);9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,12,13);7H,2-5H2,1H3;6H,2-5,8H2,1H3;6,8H,2-5H2,1H3;2H2,1H3;1H3;/q;;;;;;;;;;;-1;
InChIKeyLVEYKPBZSKIXCY-UHFFFAOYSA-N
MW2976.95 g/mol
LogP13.24
Rot. Bonds31

About 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten

1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten (PubChem CID 158442532) has the molecular formula C128H175Cl2N32O29S3W- and a molecular weight of 2976.95 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten
PubChem CID158442532
Molecular FormulaC128H175Cl2N32O29S3W-
Molecular Weight2976.95 g/mol
Exact Mass2974.13
IUPAC Name1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)O)C1.CCOC(=O)C1CCN(C#N)C1.CCOC(=O)C1CCN(C(=O)OC(C)(C)C)C1.CCOC(=O)C1CCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CCOC(=O)C1CCN(N)C1.CCOC(=O)C1CCN(Nc2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CCOC(=O)C1CCNC1.CCOC(=O)Cl.CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC#N)C1.CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)O)C1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1.[CH3-].[W]
InChIInChI=1S/C21H25N5O4S.C20H23N5O4S.C14H17N7O.C13H10ClN3O2S.C12H15N5O2.C12H21NO4.C10H17NO4.C8H12N2O2.C7H14N2O2.C7H13NO2.C3H5ClO2.CH3.W/c1-4-30-21(27)16-9-11-25(13-16)24(3)19-18-10-12-26(20(18)23-14-22-19)31(28,29)17-7-5-15(2)6-8-17;1-3-29-20(26)15-8-10-24(12-15)23-18-17-9-11-25(19(17)22-13-21-18)30(27,28)16-6-4-14(2)5-7-16;1-20(13-11-2-5-16-12(11)18-9-19-13)21-7-3-10(8-21)14(22)17-6-4-15;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17;1-16(17-5-3-8(6-17)12(18)19)11-9-2-4-13-10(9)14-7-15-11;1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4;1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13;1-2-12-8(11)7-3-4-10(5-7)6-9;1-2-11-7(10)6-3-4-9(8)5-6;1-2-10-7(9)6-3-4-8-5-6;1-2-6-3(4)5;;/h5-8,10,12,14,16H,4,9,11,13H2,1-3H3;4-7,9,11,13,15H,3,8,10,12H2,1-2H3,(H,21,22,23);2,5,9-10H,3,6-8H2,1H3,(H,17,22)(H,16,18,19);2-8H,1H3;2,4,7-8H,3,5-6H2,1H3,(H,18,19)(H,13,14,15);9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,12,13);7H,2-5H2,1H3;6H,2-5,8H2,1H3;6,8H,2-5H2,1H3;2H2,1H3;1H3;/q;;;;;;;;;;;-1;
InChIKeyLVEYKPBZSKIXCY-UHFFFAOYSA-N
XLogP13.24
TPSA751.39 Ų
H-Bond Donors8
H-Bond Acceptors54
Rotatable Bonds31
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002976.95
LogP ≤ 513.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten with MolForge

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Related Compounds

carbanide;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetic acid;2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]acetonitrile;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methanol;[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-3-yl]methyl 4-methylbenzenesulfonate;2-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide;tungsten
CID 160617402
1-[4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone;4-[4-(aminomethyl)piperidin-1-yl]-N-(4-piperazin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl N-[[1-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 157094459
carbanide;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-4-carboxamide;ethyl 1-aminooxypiperidine-4-carboxylate;ethyl 1-aminopiperidine-4-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-4-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-4-carboxylic acid;tungsten
CID 157575195
N-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 5-amino-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 5-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 5-nitroso-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine-2-carboxylate;carbanide;3-oxo-3-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]propanenitrile;tungsten
CID 157706284
1-O-tert-butyl 3-O-ethyl 3-methylpiperidine-1,3-dicarboxylate;1-O-tert-butyl 3-O-ethyl piperidine-1,3-dicarboxylate;carbanide;ethyl 1-amino-3-methylpiperidine-3-carboxylate;ethyl 3-methyl-1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;ethyl 3-methyl-1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;ethyl 3-methyl-1-nitrosopiperidine-3-carboxylate;ethyl 3-methylpiperidine-3-carboxylate;3-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxylic acid;4-[3-methyl-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-3-yl]-4-oxobutanenitrile;tungsten
CID 157857242
tert-butyl 4-amino-1,4-diazepane-1-carboxylate;tert-butyl 1,4-diazepane-1-carboxylate;tert-butyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,4-diazepane-1-carboxylate;tert-butyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,4-diazepane-1-carboxylate;tert-butyl 4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1,4-diazepane-1-carboxylate;tert-butyl 4-nitroso-1,4-diazepane-1-carboxylate;carbanide;N-(1,4-diazepan-1-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;3-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1,4-diazepan-1-yl]-3-oxopropanenitrile;tungsten
CID 158380921
carbanide;N-(cyanomethyl)-4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxamide;methyl 4-aminomorpholine-2-carboxylate;methyl 4-cyanomorpholine-2-carboxylate;methyl 4-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl 4-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]morpholine-2-carboxylate;methyl morpholine-2-carboxylate;methyl oxane-2-carboxylate;4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]morpholine-2-carboxylic acid;oxane-2-carboxylic acid;tungsten
CID 159860811
carbanide;4-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;ethyl 1-[methyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-3-carboxylate;ethyl 1-[[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-3-carboxylate;ethyl 1-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-3-carboxylate;4-[1-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-3-yl]-4-oxobutanenitrile;tungsten
CID 160456380
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
CID 160744910
tert-butyl 2-[1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-4-yl]acetate;carbanide;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-4-carboxylate;1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-4-carboxylic acid;1-N-methyl-1-N-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidine-1,4-diamine;4-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-4-yl]-3-oxobutanenitrile;1-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-1,4-diamine;tungsten
CID 161706670
1-O-tert-butyl 3-O-ethyl piperidine-1,3-dicarboxylate;ethyl 1-aminooxypiperidine-3-carboxylate;ethyl 1-aminopiperidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-3-carboxylate;ethyl piperidine-3-carboxylate;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidine-3-carboxylic acid;hydrochloride
CID 162134687

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten?
The IUPAC name of 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten (CID 158442532) is 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten.
What is the SMILES notation for 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten?
The canonical SMILES for 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten is CC(C)(C)OC(=O)N1CCC(C(=O)O)C1.CCOC(=O)C1CCN(C#N)C1.CCOC(=O)C1CCN(C(=O)OC(C)(C)C)C1.CCOC(=O)C1CCN(N(C)c2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CCOC(=O)C1CCN(N)C1.CCOC(=O)C1CCN(Nc2ncnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)C1.CCOC(=O)C1CCNC1.CCOC(=O)Cl.CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)NCC#N)C1.CN(c1ncnc2[nH]ccc12)N1CCC(C(=O)O)C1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1.[CH3-].[W].
What is the InChIKey of 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten?
The InChIKey is LVEYKPBZSKIXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4S.C20H23N5O4S.C14H17N7O.C13H10ClN3O2S.C12H15N5O2.C12H21NO4.C10H17NO4.C8H12N2O2.C7H14N2O2.C7H13NO2.C3H5ClO2.CH3.W/c1-4-30-21(27)16-9-11-25(13-16)24(3)19-18-10-12-26(20(18)23-14-22-19)31(28,29)17-7-5-15(2)6-8-17;1-3-29-20(26)15-8-10-24(12-15)23-18-17-9-11-25(19(17)22-13-21-18)30(27,28)16-6-4-14(2)5-7-16;1-20(13-11-2-5-16-12(11)18-9-19-13)21-7-3-10(8-21)14(22)17-6-4-15;1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-12(14)15-8-16-13(11)17;1-16(17-5-3-8(6-17)12(18)19)11-9-2-4-13-10(9)14-7-15-11;1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4;1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13;1-2-12-8(11)7-3-4-10(5-7)6-9;1-2-11-7(10)6-3-4-9(8)5-6;1-2-10-7(9)6-3-4-8-5-6;1-2-6-3(4)5;;/h5-8,10,12,14,16H,4,9,11,13H2,1-3H3;4-7,9,11,13,15H,3,8,10,12H2,1-2H3,(H,21,22,23);2,5,9-10H,3,6-8H2,1H3,(H,17,22)(H,16,18,19);2-8H,1H3;2,4,7-8H,3,5-6H2,1H3,(H,18,19)(H,13,14,15);9H,5-8H2,1-4H3;7H,4-6H2,1-3H3,(H,12,13);7H,2-5H2,1H3;6H,2-5,8H2,1H3;6,8H,2-5H2,1H3;2H2,1H3;1H3;/q;;;;;;;;;;;-1;.
What are the key properties of 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten?
1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten has a molecular weight of 2976.95 g/mol, XLogP of 13.24, 31 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate;carbanide;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(cyanomethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxamide;ethyl 1-aminopyrrolidine-3-carboxylate;ethyl carbonochloridate;ethyl 1-cyanopyrrolidine-3-carboxylate;ethyl 1-[methyl-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl 1-[[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidine-3-carboxylate;ethyl pyrrolidine-3-carboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidine-3-carboxylic acid;tungsten is sourced from PubChem (CID 158442532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).