tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide

C136H193Cl3I2N27O23S6Si5- — CID 160594731

IUPACtert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide
SMILESC=C1N=C(c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)OC1=S.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ncc(S(C)(=O)=O)o3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CI.CS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)o1.CSc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)o1.CSc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1.CSc1oc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)nc1C.N#CCC(=O)O.[I-]
InChIInChI=1S/C27H41N5O6SSi.C27H41N5O4SSi.C18H24ClN3O2SSi.C17H22ClN3O2SSi.C17H20ClN3O2SSi.C16H19N5O3S.C10H20N2O2.C3H3NO2.CH3I.HI/c1-27(2,3)38-26(33)31-11-8-9-19(17-31)30-23-20-10-12-32(18-36-13-14-40(5,6)7)24(20)28-15-21(23)25-29-16-22(37-25)39(4,34)35;1-27(2,3)36-26(33)31-11-8-9-19(17-31)30-23-20-10-12-32(18-34-13-14-38(5,6)7)24(20)28-15-21(23)25-29-16-22(35-25)37-4;1-12-18(25-2)24-17(21-12)14-10-20-16-13(15(14)19)6-7-22(16)11-23-8-9-26(3,4)5;1-24-14-10-20-17(23-14)13-9-19-16-12(15(13)18)5-6-21(16)11-22-7-8-25(2,3)4;1-11-17(24)23-16(20-11)13-9-19-15-12(14(13)18)5-6-21(15)10-22-7-8-25(2,3)4;1-25(22,23)13-9-20-16(24-13)12-8-19-15-11(4-6-18-15)14(12)21-10-3-2-5-17-7-10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;4-2-1-3(5)6;1-2;/h10,12,15-16,19H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);10,12,15-16,19H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);6-7,10H,8-9,11H2,1-5H3;5-6,9-10H,7-8,11H2,1-4H3;5-6,9H,1,7-8,10H2,2-4H3;4,6,8-10,17H,2-3,5,7H2,1H3,(H2,18,19,21);8H,4-7,11H2,1-3H3;1H2,(H,5,6);1H3;1H/p-1/t2*19-;;;;10-;8-;;;/m11...11.../s1
InChIKeyPJADMCIRAAHJJH-ZDLWVYTGSA-M
MW3267.20 g/mol
LogP28.61
Rot. Bonds43

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide (PubChem CID 160594731) has the molecular formula C136H193Cl3I2N27O23S6Si5- and a molecular weight of 3267.20 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide
PubChem CID160594731
Molecular FormulaC136H193Cl3I2N27O23S6Si5-
Molecular Weight3267.20 g/mol
Exact Mass3262.91
IUPAC Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide
SMILESC=C1N=C(c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)OC1=S.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ncc(S(C)(=O)=O)o3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CI.CS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)o1.CSc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)o1.CSc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1.CSc1oc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)nc1C.N#CCC(=O)O.[I-]
InChIInChI=1S/C27H41N5O6SSi.C27H41N5O4SSi.C18H24ClN3O2SSi.C17H22ClN3O2SSi.C17H20ClN3O2SSi.C16H19N5O3S.C10H20N2O2.C3H3NO2.CH3I.HI/c1-27(2,3)38-26(33)31-11-8-9-19(17-31)30-23-20-10-12-32(18-36-13-14-40(5,6)7)24(20)28-15-21(23)25-29-16-22(37-25)39(4,34)35;1-27(2,3)36-26(33)31-11-8-9-19(17-31)30-23-20-10-12-32(18-34-13-14-38(5,6)7)24(20)28-15-21(23)25-29-16-22(35-25)37-4;1-12-18(25-2)24-17(21-12)14-10-20-16-13(15(14)19)6-7-22(16)11-23-8-9-26(3,4)5;1-24-14-10-20-17(23-14)13-9-19-16-12(15(13)18)5-6-21(16)11-22-7-8-25(2,3)4;1-11-17(24)23-16(20-11)13-9-19-15-12(14(13)18)5-6-21(15)10-22-7-8-25(2,3)4;1-25(22,23)13-9-20-16(24-13)12-8-19-15-11(4-6-18-15)14(12)21-10-3-2-5-17-7-10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;4-2-1-3(5)6;1-2;/h10,12,15-16,19H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);10,12,15-16,19H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);6-7,10H,8-9,11H2,1-5H3;5-6,9-10H,7-8,11H2,1-4H3;5-6,9H,1,7-8,10H2,2-4H3;4,6,8-10,17H,2-3,5,7H2,1H3,(H2,18,19,21);8H,4-7,11H2,1-3H3;1H2,(H,5,6);1H3;1H/p-1/t2*19-;;;;10-;8-;;;/m11...11.../s1
InChIKeyPJADMCIRAAHJJH-ZDLWVYTGSA-M
XLogP28.61
TPSA607.80 Ų
H-Bond Donors7
H-Bond Acceptors49
Rotatable Bonds43
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003267.20
LogP ≤ 528.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide?
The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide (CID 160594731) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide.
What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide?
The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide is C=C1N=C(c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)OC1=S.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ncc(S(C)(=O)=O)o3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CI.CS(=O)(=O)c1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)o1.CSc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)o1.CSc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1.CSc1oc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2Cl)nc1C.N#CCC(=O)O.[I-].
What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide?
The InChIKey is PJADMCIRAAHJJH-ZDLWVYTGSA-M. The full InChI is InChI=1S/C27H41N5O6SSi.C27H41N5O4SSi.C18H24ClN3O2SSi.C17H22ClN3O2SSi.C17H20ClN3O2SSi.C16H19N5O3S.C10H20N2O2.C3H3NO2.CH3I.HI/c1-27(2,3)38-26(33)31-11-8-9-19(17-31)30-23-20-10-12-32(18-36-13-14-40(5,6)7)24(20)28-15-21(23)25-29-16-22(37-25)39(4,34)35;1-27(2,3)36-26(33)31-11-8-9-19(17-31)30-23-20-10-12-32(18-34-13-14-38(5,6)7)24(20)28-15-21(23)25-29-16-22(35-25)37-4;1-12-18(25-2)24-17(21-12)14-10-20-16-13(15(14)19)6-7-22(16)11-23-8-9-26(3,4)5;1-24-14-10-20-17(23-14)13-9-19-16-12(15(13)18)5-6-21(16)11-22-7-8-25(2,3)4;1-11-17(24)23-16(20-11)13-9-19-15-12(14(13)18)5-6-21(15)10-22-7-8-25(2,3)4;1-25(22,23)13-9-20-16(24-13)12-8-19-15-11(4-6-18-15)14(12)21-10-3-2-5-17-7-10;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;4-2-1-3(5)6;1-2;/h10,12,15-16,19H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);10,12,15-16,19H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);6-7,10H,8-9,11H2,1-5H3;5-6,9-10H,7-8,11H2,1-4H3;5-6,9H,1,7-8,10H2,2-4H3;4,6,8-10,17H,2-3,5,7H2,1H3,(H2,18,19,21);8H,4-7,11H2,1-3H3;1H2,(H,5,6);1H3;1H/p-1/t2*19-;;;;10-;8-;;;/m11...11.../s1.
What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide?
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide has a molecular weight of 3267.20 g/mol, XLogP of 28.61, 43 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfanyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(5-methylsulfonyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(4-methyl-5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[[4-chloro-5-(5-methylsulfanyl-1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-4-methylidene-1,3-oxazole-5-thione;2-cyanoacetic acid;iodomethane;5-(5-methylsulfonyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;iodide is sourced from PubChem (CID 160594731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).