tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C160H245Cl3N32O28S2Si6 — CID 167700574

IUPACtert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2c(-c3nncs3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCCC(Nc2c(C(=O)NCC=O)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCCC(Nc2c(C(=O)O)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CCOC(=O)c1cnc2[nH]ccc2c1Cl.CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1NC1CCCN(C(=O)OC(C)(C)C)C1.C[Si](C)(C)CCOCCl.N#CCC(=O)O.c1cc2c(NC3CCCNC3)c(-c3nncs3)cnc2[nH]1
InChIInChI=1S/C26H41N5O5Si.C26H42N4O5Si.C25H38N6O3SSi.C24H38N4O5Si.C16H23ClN2O3Si.C14H16N6S.C10H9ClN2O2.C10H20N2O2.C6H15ClOSi.C3H3NO2/c1-26(2,3)36-25(34)30-11-7-8-19(17-30)29-22-20-9-12-31(18-35-14-15-37(4,5)6)23(20)28-16-21(22)24(33)27-10-13-32;1-8-34-24(31)21-16-27-23-20(11-13-30(23)18-33-14-15-36(5,6)7)22(21)28-19-10-9-12-29(17-19)25(32)35-26(2,3)4;1-25(2,3)34-24(32)30-10-7-8-18(15-30)28-21-19-9-11-31(17-33-12-13-36(4,5)6)22(19)26-14-20(21)23-29-27-16-35-23;1-24(2,3)33-23(31)27-10-7-8-17(15-27)26-20-18-9-11-28(16-32-12-13-34(4,5)6)21(18)25-14-19(20)22(29)30;1-5-22-16(20)13-10-18-15-12(14(13)17)6-7-19(15)11-21-8-9-23(2,3)4;1-2-9(6-15-4-1)19-12-10-3-5-16-13(10)17-7-11(12)14-20-18-8-21-14;1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9(2,3)5-4-8-6-7;4-2-1-3(5)6/h9,12-13,16,19H,7-8,10-11,14-15,17-18H2,1-6H3,(H,27,33)(H,28,29);11,13,16,19H,8-10,12,14-15,17-18H2,1-7H3,(H,27,28);9,11,14,16,18H,7-8,10,12-13,15,17H2,1-6H3,(H,26,28);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26)(H,29,30);6-7,10H,5,8-9,11H2,1-4H3;3,5,7-9,15H,1-2,4,6H2,(H2,16,17,19);3-5H,2H2,1H3,(H,12,13);8H,4-7,11H2,1-3H3;4-6H2,1-3H3;1H2,(H,5,6)/t;;;;;;;8-;;/m.......1../s1
InChIKeyYIASMWSGWOKERD-BUAQOJDFSA-N
MW3403.92 g/mol
LogP32.65
Rot. Bonds52

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 167700574) has the molecular formula C160H245Cl3N32O28S2Si6 and a molecular weight of 3403.92 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID167700574
Molecular FormulaC160H245Cl3N32O28S2Si6
Molecular Weight3403.92 g/mol
Exact Mass3399.59
IUPAC Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2c(-c3nncs3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCCC(Nc2c(C(=O)NCC=O)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCCC(Nc2c(C(=O)O)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CCOC(=O)c1cnc2[nH]ccc2c1Cl.CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1NC1CCCN(C(=O)OC(C)(C)C)C1.C[Si](C)(C)CCOCCl.N#CCC(=O)O.c1cc2c(NC3CCCNC3)c(-c3nncs3)cnc2[nH]1
InChIInChI=1S/C26H41N5O5Si.C26H42N4O5Si.C25H38N6O3SSi.C24H38N4O5Si.C16H23ClN2O3Si.C14H16N6S.C10H9ClN2O2.C10H20N2O2.C6H15ClOSi.C3H3NO2/c1-26(2,3)36-25(34)30-11-7-8-19(17-30)29-22-20-9-12-31(18-35-14-15-37(4,5)6)23(20)28-16-21(22)24(33)27-10-13-32;1-8-34-24(31)21-16-27-23-20(11-13-30(23)18-33-14-15-36(5,6)7)22(21)28-19-10-9-12-29(17-19)25(32)35-26(2,3)4;1-25(2,3)34-24(32)30-10-7-8-18(15-30)28-21-19-9-11-31(17-33-12-13-36(4,5)6)22(19)26-14-20(21)23-29-27-16-35-23;1-24(2,3)33-23(31)27-10-7-8-17(15-27)26-20-18-9-11-28(16-32-12-13-34(4,5)6)21(18)25-14-19(20)22(29)30;1-5-22-16(20)13-10-18-15-12(14(13)17)6-7-19(15)11-21-8-9-23(2,3)4;1-2-9(6-15-4-1)19-12-10-3-5-16-13(10)17-7-11(12)14-20-18-8-21-14;1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9(2,3)5-4-8-6-7;4-2-1-3(5)6/h9,12-13,16,19H,7-8,10-11,14-15,17-18H2,1-6H3,(H,27,33)(H,28,29);11,13,16,19H,8-10,12,14-15,17-18H2,1-7H3,(H,27,28);9,11,14,16,18H,7-8,10,12-13,15,17H2,1-6H3,(H,26,28);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26)(H,29,30);6-7,10H,5,8-9,11H2,1-4H3;3,5,7-9,15H,1-2,4,6H2,(H2,16,17,19);3-5H,2H2,1H3,(H,12,13);8H,4-7,11H2,1-3H3;4-6H2,1-3H3;1H2,(H,5,6)/t;;;;;;;8-;;/m.......1../s1
InChIKeyYIASMWSGWOKERD-BUAQOJDFSA-N
XLogP32.65
TPSA722.76 Ų
H-Bond Donors12
H-Bond Acceptors52
Rotatable Bonds52
Heavy Atoms231
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003403.92
LogP ≤ 532.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 167700574) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is CC(C)(C)OC(=O)N1CCCC(Nc2c(-c3nncs3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCCC(Nc2c(C(=O)NCC=O)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCCC(Nc2c(C(=O)O)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CCOC(=O)c1cnc2[nH]ccc2c1Cl.CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1Cl.CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1NC1CCCN(C(=O)OC(C)(C)C)C1.C[Si](C)(C)CCOCCl.N#CCC(=O)O.c1cc2c(NC3CCCNC3)c(-c3nncs3)cnc2[nH]1.
What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is YIASMWSGWOKERD-BUAQOJDFSA-N. The full InChI is InChI=1S/C26H41N5O5Si.C26H42N4O5Si.C25H38N6O3SSi.C24H38N4O5Si.C16H23ClN2O3Si.C14H16N6S.C10H9ClN2O2.C10H20N2O2.C6H15ClOSi.C3H3NO2/c1-26(2,3)36-25(34)30-11-7-8-19(17-30)29-22-20-9-12-31(18-35-14-15-37(4,5)6)23(20)28-16-21(22)24(33)27-10-13-32;1-8-34-24(31)21-16-27-23-20(11-13-30(23)18-33-14-15-36(5,6)7)22(21)28-19-10-9-12-29(17-19)25(32)35-26(2,3)4;1-25(2,3)34-24(32)30-10-7-8-18(15-30)28-21-19-9-11-31(17-33-12-13-36(4,5)6)22(19)26-14-20(21)23-29-27-16-35-23;1-24(2,3)33-23(31)27-10-7-8-17(15-27)26-20-18-9-11-28(16-32-12-13-34(4,5)6)21(18)25-14-19(20)22(29)30;1-5-22-16(20)13-10-18-15-12(14(13)17)6-7-19(15)11-21-8-9-23(2,3)4;1-2-9(6-15-4-1)19-12-10-3-5-16-13(10)17-7-11(12)14-20-18-8-21-14;1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-9(2,3)5-4-8-6-7;4-2-1-3(5)6/h9,12-13,16,19H,7-8,10-11,14-15,17-18H2,1-6H3,(H,27,33)(H,28,29);11,13,16,19H,8-10,12,14-15,17-18H2,1-7H3,(H,27,28);9,11,14,16,18H,7-8,10,12-13,15,17H2,1-6H3,(H,26,28);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26)(H,29,30);6-7,10H,5,8-9,11H2,1-4H3;3,5,7-9,15H,1-2,4,6H2,(H2,16,17,19);3-5H,2H2,1H3,(H,12,13);8H,4-7,11H2,1-3H3;4-6H2,1-3H3;1H2,(H,5,6)/t;;;;;;;8-;;/m.......1../s1.
What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 3403.92 g/mol, XLogP of 32.65, 52 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl 3-[[5-(2-oxoethylcarbamoyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[5-(1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;2-cyanoacetic acid;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylate;4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxylic acid;N-piperidin-3-yl-5-(1,3,4-thiadiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 167700574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).