benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride

C151H172Cl2N40O23 — CID 159923443

IUPACbenzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cnc2[nH]ccc2c1Cl.CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)n1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.Cl.N#CCC(=O)O.N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.[H]/N=C(\C)N.[H]/N=C(\C)NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C23H24N6O3.C23H26N6O3.C23H26N4O4.C21H22N4O4.C18H19N7O2.C15H18N6O.C13H18N2O2.C10H9ClN2O2.C3H3NO2.C2H6N2.ClH/c1-15-26-22(32-28-15)19-12-25-21-18(9-10-24-21)20(19)27-17-8-5-11-29(13-17)23(30)31-14-16-6-3-2-4-7-16;1-15(24)27-22(30)19-12-26-21-18(9-10-25-21)20(19)28-17-8-5-11-29(13-17)23(31)32-14-16-6-3-2-4-7-16;1-2-30-22(28)19-13-25-21-18(10-11-24-21)20(19)26-17-9-6-12-27(14-17)23(29)31-15-16-7-4-3-5-8-16;26-20(27)17-11-23-19-16(8-9-22-19)18(17)24-15-7-4-10-25(12-15)21(28)29-13-14-5-2-1-3-6-14;1-11-22-18(27-24-11)14-9-21-17-13(5-7-20-17)16(14)23-12-3-2-8-25(10-12)15(26)4-6-19;1-9-19-15(22-21-9)12-8-18-14-11(4-6-17-14)13(12)20-10-3-2-5-16-7-10;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9;4-2-1-3(5)6;1-2(3)4;/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H2,24,25,27);2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H2,24,27,30)(H2,25,26,28);3-5,7-8,10-11,13,17H,2,6,9,12,14-15H2,1H3,(H2,24,25,26);1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,26,27)(H2,22,23,24);5,7,9,12H,2-4,8,10H2,1H3,(H2,20,21,23);4,6,8,10,16H,2-3,5,7H2,1H3,(H2,17,18,20);1-3,5-6,12H,4,7-10,14H2;3-5H,2H2,1H3,(H,12,13);1H2,(H,5,6);1H3,(H3,3,4);1H/t3*17-;15-;12-;10-;12-;;;;/m1111111..../s1
InChIKeyWIILILOSKYLMOM-GXWMQKQDSA-N
MW2986.20 g/mol
LogP23.88
Rot. Bonds33

About benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride

benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride (PubChem CID 159923443) has the molecular formula C151H172Cl2N40O23 and a molecular weight of 2986.20 g/mol. Its IUPAC name is benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namebenzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
PubChem CID159923443
Molecular FormulaC151H172Cl2N40O23
Molecular Weight2986.20 g/mol
Exact Mass2983.29
IUPAC Namebenzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cnc2[nH]ccc2c1Cl.CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)n1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.Cl.N#CCC(=O)O.N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.[H]/N=C(\C)N.[H]/N=C(\C)NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C23H24N6O3.C23H26N6O3.C23H26N4O4.C21H22N4O4.C18H19N7O2.C15H18N6O.C13H18N2O2.C10H9ClN2O2.C3H3NO2.C2H6N2.ClH/c1-15-26-22(32-28-15)19-12-25-21-18(9-10-24-21)20(19)27-17-8-5-11-29(13-17)23(30)31-14-16-6-3-2-4-7-16;1-15(24)27-22(30)19-12-26-21-18(9-10-25-21)20(19)28-17-8-5-11-29(13-17)23(31)32-14-16-6-3-2-4-7-16;1-2-30-22(28)19-13-25-21-18(10-11-24-21)20(19)26-17-9-6-12-27(14-17)23(29)31-15-16-7-4-3-5-8-16;26-20(27)17-11-23-19-16(8-9-22-19)18(17)24-15-7-4-10-25(12-15)21(28)29-13-14-5-2-1-3-6-14;1-11-22-18(27-24-11)14-9-21-17-13(5-7-20-17)16(14)23-12-3-2-8-25(10-12)15(26)4-6-19;1-9-19-15(22-21-9)12-8-18-14-11(4-6-17-14)13(12)20-10-3-2-5-16-7-10;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9;4-2-1-3(5)6;1-2(3)4;/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H2,24,25,27);2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H2,24,27,30)(H2,25,26,28);3-5,7-8,10-11,13,17H,2,6,9,12,14-15H2,1H3,(H2,24,25,26);1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,26,27)(H2,22,23,24);5,7,9,12H,2-4,8,10H2,1H3,(H2,20,21,23);4,6,8,10,16H,2-3,5,7H2,1H3,(H2,17,18,20);1-3,5-6,12H,4,7-10,14H2;3-5H,2H2,1H3,(H,12,13);1H2,(H,5,6);1H3,(H3,3,4);1H/t3*17-;15-;12-;10-;12-;;;;/m1111111..../s1
InChIKeyWIILILOSKYLMOM-GXWMQKQDSA-N
XLogP23.88
TPSA873.36 Ų
H-Bond Donors21
H-Bond Acceptors46
Rotatable Bonds33
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002986.20
LogP ≤ 523.88
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The IUPAC name of benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride (CID 159923443) is benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride.
What is the SMILES notation for benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The canonical SMILES for benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride is CCOC(=O)c1cnc2[nH]ccc2c1Cl.CCOC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)n1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1.Cc1noc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.Cl.N#CCC(=O)O.N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.[H]/N=C(\C)N.[H]/N=C(\C)NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
The InChIKey is WIILILOSKYLMOM-GXWMQKQDSA-N. The full InChI is InChI=1S/C23H24N6O3.C23H26N6O3.C23H26N4O4.C21H22N4O4.C18H19N7O2.C15H18N6O.C13H18N2O2.C10H9ClN2O2.C3H3NO2.C2H6N2.ClH/c1-15-26-22(32-28-15)19-12-25-21-18(9-10-24-21)20(19)27-17-8-5-11-29(13-17)23(30)31-14-16-6-3-2-4-7-16;1-15(24)27-22(30)19-12-26-21-18(9-10-25-21)20(19)28-17-8-5-11-29(13-17)23(31)32-14-16-6-3-2-4-7-16;1-2-30-22(28)19-13-25-21-18(10-11-24-21)20(19)26-17-9-6-12-27(14-17)23(29)31-15-16-7-4-3-5-8-16;26-20(27)17-11-23-19-16(8-9-22-19)18(17)24-15-7-4-10-25(12-15)21(28)29-13-14-5-2-1-3-6-14;1-11-22-18(27-24-11)14-9-21-17-13(5-7-20-17)16(14)23-12-3-2-8-25(10-12)15(26)4-6-19;1-9-19-15(22-21-9)12-8-18-14-11(4-6-17-14)13(12)20-10-3-2-5-16-7-10;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;1-2-15-10(14)7-5-13-9-6(8(7)11)3-4-12-9;4-2-1-3(5)6;1-2(3)4;/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H2,24,25,27);2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H2,24,27,30)(H2,25,26,28);3-5,7-8,10-11,13,17H,2,6,9,12,14-15H2,1H3,(H2,24,25,26);1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,26,27)(H2,22,23,24);5,7,9,12H,2-4,8,10H2,1H3,(H2,20,21,23);4,6,8,10,16H,2-3,5,7H2,1H3,(H2,17,18,20);1-3,5-6,12H,4,7-10,14H2;3-5H,2H2,1H3,(H,12,13);1H2,(H,5,6);1H3,(H3,3,4);1H/t3*17-;15-;12-;10-;12-;;;;/m1111111..../s1.
What are the key properties of benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?
benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 2986.20 g/mol, XLogP of 23.88, 33 rotatable bonds, 21 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[5-(ethanimidoylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;benzyl (3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;ethanimidamide;ethyl 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;ethyl 4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;4-[[(3R)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 159923443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).