6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile

C147H202Br3N35O18SSi2 — CID 161219298

IUPAC6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile
SMILESCCc1cc(Br)ncc1N.CCc1cc(Br)ncc1N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCc1cc(Br)ncc1NC(=O)OC(C)(C)C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2(C#N)CN(S(C)(=O)=O)C2)ncc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C27H44N4O5Si.C24H29N7O2.C23H27N7O2.C20H23N7O2S.C18H31BrN2O3Si.C16H22N4O2.C12H17BrN2O2.C7H9BrN2/c1-11-20-14-22(27(16-28)17-30(18-27)23(32)35-25(2,3)4)29-15-21(20)31(24(33)36-26(5,6)7)19-34-12-13-37(8,9)10;1-7-16-8-20(24(12-25)13-31(14-24)22(32)33-23(2,3)4)26-11-19(16)30(6)21-9-18-17(10-27-21)28-15-29(18)5;1-6-15-7-19(23(11-24)12-30(13-23)21(31)32-22(2,3)4)25-9-16(15)28-20-8-18-17(10-26-20)27-14-29(18)5;1-5-14-6-18(20(10-21)11-27(12-20)30(4,28)29)22-9-17(14)26(3)19-7-16-15(8-23-19)24-13-25(16)2;1-8-14-11-16(19)20-12-15(14)21(17(22)24-18(2,3)4)13-23-9-10-25(5,6)7;1-5-11-6-13(19-7-12(11)18)16(8-17)9-20(10-16)14(21)22-15(2,3)4;1-5-8-6-10(13)14-7-9(8)15-11(16)17-12(2,3)4;1-2-5-3-7(8)10-4-6(5)9/h14-15H,11-13,17-19H2,1-10H3;8-11,15H,7,13-14H2,1-6H3;7-10,14H,6,12-13H2,1-5H3,(H,26,28);6-9,13H,5,11-12H2,1-4H3;11-12H,8-10,13H2,1-7H3;6-7H,5,9-10,18H2,1-4H3;6-7H,5H2,1-4H3,(H,15,16);3-4H,2,9H2,1H3
InChIKeyUXHGFLQGJHAKKQ-UHFFFAOYSA-N
MW3075.41 g/mol
LogP28.27
Rot. Bonds33

About 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile

6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile (PubChem CID 161219298) has the molecular formula C147H202Br3N35O18SSi2 and a molecular weight of 3075.41 g/mol. Its IUPAC name is 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile
PubChem CID161219298
Molecular FormulaC147H202Br3N35O18SSi2
Molecular Weight3075.41 g/mol
Exact Mass3070.28
IUPAC Name6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile
SMILESCCc1cc(Br)ncc1N.CCc1cc(Br)ncc1N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCc1cc(Br)ncc1NC(=O)OC(C)(C)C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2(C#N)CN(S(C)(=O)=O)C2)ncc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C27H44N4O5Si.C24H29N7O2.C23H27N7O2.C20H23N7O2S.C18H31BrN2O3Si.C16H22N4O2.C12H17BrN2O2.C7H9BrN2/c1-11-20-14-22(27(16-28)17-30(18-27)23(32)35-25(2,3)4)29-15-21(20)31(24(33)36-26(5,6)7)19-34-12-13-37(8,9)10;1-7-16-8-20(24(12-25)13-31(14-24)22(32)33-23(2,3)4)26-11-19(16)30(6)21-9-18-17(10-27-21)28-15-29(18)5;1-6-15-7-19(23(11-24)12-30(13-23)21(31)32-22(2,3)4)25-9-16(15)28-20-8-18-17(10-26-20)27-14-29(18)5;1-5-14-6-18(20(10-21)11-27(12-20)30(4,28)29)22-9-17(14)26(3)19-7-16-15(8-23-19)24-13-25(16)2;1-8-14-11-16(19)20-12-15(14)21(17(22)24-18(2,3)4)13-23-9-10-25(5,6)7;1-5-11-6-13(19-7-12(11)18)16(8-17)9-20(10-16)14(21)22-15(2,3)4;1-5-8-6-10(13)14-7-9(8)15-11(16)17-12(2,3)4;1-2-5-3-7(8)10-4-6(5)9/h14-15H,11-13,17-19H2,1-10H3;8-11,15H,7,13-14H2,1-6H3;7-10,14H,6,12-13H2,1-5H3,(H,26,28);6-9,13H,5,11-12H2,1-4H3;11-12H,8-10,13H2,1-7H3;6-7H,5,9-10,18H2,1-4H3;6-7H,5H2,1-4H3,(H,15,16);3-4H,2,9H2,1H3
InChIKeyUXHGFLQGJHAKKQ-UHFFFAOYSA-N
XLogP28.27
TPSA656.16 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003075.41
LogP ≤ 528.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-[6-(azetidin-3-yl)-4-ethyl-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-iodoazetidine-1-carboxylate;6-chloro-1-methylimidazo[4,5-c]pyridine;N-[4-ethyl-6-(1-methylsulfonylazetidin-3-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 158024863
6-bromo-4-ethylpyridin-3-amine;tert-butyl 4-(5-amino-4-ethyl-2-pyridinyl)piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-iodopiperidine-1-carboxylate;N-[4-ethyl-6-(1-methylsulfonylpiperidin-4-yl)-3-pyridinyl]-N,1-dimethylimidazo[4,5-c]pyridin-6-amine;N-(4-ethyl-6-piperidin-4-yl-3-pyridinyl)-N,1-dimethylimidazo[4,5-c]pyridin-6-amine
CID 160657051

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile?
The IUPAC name of 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile (CID 161219298) is 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile is CCc1cc(Br)ncc1N.CCc1cc(Br)ncc1N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCc1cc(Br)ncc1NC(=O)OC(C)(C)C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N(C)c1cc2c(cn1)ncn2C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1N(COCC[Si](C)(C)C)C(=O)OC(C)(C)C.CCc1cc(C2(C#N)CN(C(=O)OC(C)(C)C)C2)ncc1Nc1cc2c(cn1)ncn2C.CCc1cc(C2(C#N)CN(S(C)(=O)=O)C2)ncc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile?
The InChIKey is UXHGFLQGJHAKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N4O5Si.C24H29N7O2.C23H27N7O2.C20H23N7O2S.C18H31BrN2O3Si.C16H22N4O2.C12H17BrN2O2.C7H9BrN2/c1-11-20-14-22(27(16-28)17-30(18-27)23(32)35-25(2,3)4)29-15-21(20)31(24(33)36-26(5,6)7)19-34-12-13-37(8,9)10;1-7-16-8-20(24(12-25)13-31(14-24)22(32)33-23(2,3)4)26-11-19(16)30(6)21-9-18-17(10-27-21)28-15-29(18)5;1-6-15-7-19(23(11-24)12-30(13-23)21(31)32-22(2,3)4)25-9-16(15)28-20-8-18-17(10-26-20)27-14-29(18)5;1-5-14-6-18(20(10-21)11-27(12-20)30(4,28)29)22-9-17(14)26(3)19-7-16-15(8-23-19)24-13-25(16)2;1-8-14-11-16(19)20-12-15(14)21(17(22)24-18(2,3)4)13-23-9-10-25(5,6)7;1-5-11-6-13(19-7-12(11)18)16(8-17)9-20(10-16)14(21)22-15(2,3)4;1-5-8-6-10(13)14-7-9(8)15-11(16)17-12(2,3)4;1-2-5-3-7(8)10-4-6(5)9/h14-15H,11-13,17-19H2,1-10H3;8-11,15H,7,13-14H2,1-6H3;7-10,14H,6,12-13H2,1-5H3,(H,26,28);6-9,13H,5,11-12H2,1-4H3;11-12H,8-10,13H2,1-7H3;6-7H,5,9-10,18H2,1-4H3;6-7H,5H2,1-4H3,(H,15,16);3-4H,2,9H2,1H3.
What are the key properties of 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile?
6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile has a molecular weight of 3075.41 g/mol, XLogP of 28.27, 33 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-ethylpyridin-3-amine;tert-butyl 3-(5-amino-4-ethyl-2-pyridinyl)-3-cyanoazetidine-1-carboxylate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)carbamate;tert-butyl N-(6-bromo-4-ethyl-3-pyridinyl)-N-(2-trimethylsilylethoxymethyl)carbamate;tert-butyl 3-cyano-3-[4-ethyl-5-[(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]azetidine-1-carboxylate;tert-butyl 3-cyano-3-[4-ethyl-5-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]-2-pyridinyl]azetidine-1-carboxylate;3-[4-ethyl-5-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]-2-pyridinyl]-1-methylsulfonylazetidine-3-carbonitrile is sourced from PubChem (CID 161219298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).