bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane

C154H219BrCl5F9IN37O32S — CID 167615639

IUPACbromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane
SMILESCC(C)(C)OC(=O)N1CCNCC1.CCBr.CN(CC=O)C(=O)OC(C)(C)C.CNCCN1CCN(c2ncc(OCCOC)cc2F)CC1.COCCOc1cnc(Cl)c(F)c1.COCCOc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1.COCCOc1cnc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)c(F)c1.COCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(F)c1.COCCOc1cnc(N2CCNCC2)c(F)c1.Cc1ccc(S(=O)(=O)O)cc1.Fc1cc(OCCOC2CCCCO2)cnc1Cl.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.OCCOc1cnc(Cl)c(F)c1.Oc1cnc(Cl)c(F)c1.[2H]C([2H])([2H])I
InChIInChI=1S/C23H29FN10O3.C20H33FN4O4.C17H26FN3O4.C15H25FN4O2.C12H15ClFNO3.C12H18FN3O2.C9H18N2O2.C8H9ClFNO2.C8H5ClN6O.C8H15NO3.C7H7ClFNO2.C7H8O3S.C5H3ClFNO.C2H5Br.CH3I/c1-31(18-14-19-28-20(22-26-3-10-37-22)30-34(19)23(25)29-18)4-5-32-6-8-33(9-7-32)21-17(24)13-16(15-27-21)36-12-11-35-2;1-20(2,3)29-19(26)23(4)6-7-24-8-10-25(11-9-24)18-17(21)14-16(15-22-18)28-13-12-27-5;1-17(2,3)25-16(22)21-7-5-20(6-8-21)15-14(18)11-13(12-19-15)24-10-9-23-4;1-17-3-4-19-5-7-20(8-6-19)15-14(16)11-13(12-18-15)22-10-9-21-2;13-12-10(14)7-9(8-15-12)16-5-6-18-11-3-1-2-4-17-11;1-17-6-7-18-10-8-11(13)12(15-9-10)16-4-2-14-3-5-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-12-2-3-13-6-4-7(10)8(9)11-5-6;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;1-8(2,3)12-7(11)9(4)5-6-10;8-7-6(9)3-5(4-10-7)12-2-1-11;1-6-2-4-7(5-3-6)11(8,9)10;6-5-4(7)1-3(9)2-8-5;1-2-3;1-2/h3,10,13-15H,4-9,11-12H2,1-2H3,(H2,25,29);14-15H,6-13H2,1-5H3;11-12H,5-10H2,1-4H3;11-12,17H,3-10H2,1-2H3;7-8,11H,1-6H2;8-9,14H,2-7H2,1H3;10H,4-7H2,1-3H3;4-5H,2-3H2,1H3;1-3H,(H2,10,12);6H,5H2,1-4H3;3-4,11H,1-2H2;2-5H,1H3,(H,8,9,10);1-2,9H;2H2,1H3;1H3/i;;;;;;;;;;;;;;1D3
InChIKeyFPGVTYYEJGWWRK-RCUAATHSSA-N
MW3690.81 g/mol
LogP21.07
Rot. Bonds52

About bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane

bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane (PubChem CID 167615639) has the molecular formula C154H219BrCl5F9IN37O32S and a molecular weight of 3690.81 g/mol. Its IUPAC name is bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane.

Molecular Properties

Compound Namebromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane
PubChem CID167615639
Molecular FormulaC154H219BrCl5F9IN37O32S
Molecular Weight3690.81 g/mol
Exact Mass3685.31
IUPAC Namebromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane
SMILESCC(C)(C)OC(=O)N1CCNCC1.CCBr.CN(CC=O)C(=O)OC(C)(C)C.CNCCN1CCN(c2ncc(OCCOC)cc2F)CC1.COCCOc1cnc(Cl)c(F)c1.COCCOc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1.COCCOc1cnc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)c(F)c1.COCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(F)c1.COCCOc1cnc(N2CCNCC2)c(F)c1.Cc1ccc(S(=O)(=O)O)cc1.Fc1cc(OCCOC2CCCCO2)cnc1Cl.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.OCCOc1cnc(Cl)c(F)c1.Oc1cnc(Cl)c(F)c1.[2H]C([2H])([2H])I
InChIInChI=1S/C23H29FN10O3.C20H33FN4O4.C17H26FN3O4.C15H25FN4O2.C12H15ClFNO3.C12H18FN3O2.C9H18N2O2.C8H9ClFNO2.C8H5ClN6O.C8H15NO3.C7H7ClFNO2.C7H8O3S.C5H3ClFNO.C2H5Br.CH3I/c1-31(18-14-19-28-20(22-26-3-10-37-22)30-34(19)23(25)29-18)4-5-32-6-8-33(9-7-32)21-17(24)13-16(15-27-21)36-12-11-35-2;1-20(2,3)29-19(26)23(4)6-7-24-8-10-25(11-9-24)18-17(21)14-16(15-22-18)28-13-12-27-5;1-17(2,3)25-16(22)21-7-5-20(6-8-21)15-14(18)11-13(12-19-15)24-10-9-23-4;1-17-3-4-19-5-7-20(8-6-19)15-14(16)11-13(12-18-15)22-10-9-21-2;13-12-10(14)7-9(8-15-12)16-5-6-18-11-3-1-2-4-17-11;1-17-6-7-18-10-8-11(13)12(15-9-10)16-4-2-14-3-5-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-12-2-3-13-6-4-7(10)8(9)11-5-6;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;1-8(2,3)12-7(11)9(4)5-6-10;8-7-6(9)3-5(4-10-7)12-2-1-11;1-6-2-4-7(5-3-6)11(8,9)10;6-5-4(7)1-3(9)2-8-5;1-2-3;1-2/h3,10,13-15H,4-9,11-12H2,1-2H3,(H2,25,29);14-15H,6-13H2,1-5H3;11-12H,5-10H2,1-4H3;11-12,17H,3-10H2,1-2H3;7-8,11H,1-6H2;8-9,14H,2-7H2,1H3;10H,4-7H2,1-3H3;4-5H,2-3H2,1H3;1-3H,(H2,10,12);6H,5H2,1-4H3;3-4,11H,1-2H2;2-5H,1H3,(H,8,9,10);1-2,9H;2H2,1H3;1H3/i;;;;;;;;;;;;;;1D3
InChIKeyFPGVTYYEJGWWRK-RCUAATHSSA-N
XLogP21.07
TPSA749.26 Ų
H-Bond Donors8
H-Bond Acceptors64
Rotatable Bonds52
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003690.81
LogP ≤ 521.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane?
The IUPAC name of bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane (CID 167615639) is bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane.
What is the SMILES notation for bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane?
The canonical SMILES for bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane is CC(C)(C)OC(=O)N1CCNCC1.CCBr.CN(CC=O)C(=O)OC(C)(C)C.CNCCN1CCN(c2ncc(OCCOC)cc2F)CC1.COCCOc1cnc(Cl)c(F)c1.COCCOc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1.COCCOc1cnc(N2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)c(F)c1.COCCOc1cnc(N2CCN(CCN(C)c3cc4nc(-c5ncco5)nn4c(N)n3)CC2)c(F)c1.COCCOc1cnc(N2CCNCC2)c(F)c1.Cc1ccc(S(=O)(=O)O)cc1.Fc1cc(OCCOC2CCCCO2)cnc1Cl.Nc1nc(Cl)cc2nc(-c3ncco3)nn12.OCCOc1cnc(Cl)c(F)c1.Oc1cnc(Cl)c(F)c1.[2H]C([2H])([2H])I.
What is the InChIKey of bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane?
The InChIKey is FPGVTYYEJGWWRK-RCUAATHSSA-N. The full InChI is InChI=1S/C23H29FN10O3.C20H33FN4O4.C17H26FN3O4.C15H25FN4O2.C12H15ClFNO3.C12H18FN3O2.C9H18N2O2.C8H9ClFNO2.C8H5ClN6O.C8H15NO3.C7H7ClFNO2.C7H8O3S.C5H3ClFNO.C2H5Br.CH3I/c1-31(18-14-19-28-20(22-26-3-10-37-22)30-34(19)23(25)29-18)4-5-32-6-8-33(9-7-32)21-17(24)13-16(15-27-21)36-12-11-35-2;1-20(2,3)29-19(26)23(4)6-7-24-8-10-25(11-9-24)18-17(21)14-16(15-22-18)28-13-12-27-5;1-17(2,3)25-16(22)21-7-5-20(6-8-21)15-14(18)11-13(12-19-15)24-10-9-23-4;1-17-3-4-19-5-7-20(8-6-19)15-14(16)11-13(12-18-15)22-10-9-21-2;13-12-10(14)7-9(8-15-12)16-5-6-18-11-3-1-2-4-17-11;1-17-6-7-18-10-8-11(13)12(15-9-10)16-4-2-14-3-5-16;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-12-2-3-13-6-4-7(10)8(9)11-5-6;9-4-3-5-13-6(7-11-1-2-16-7)14-15(5)8(10)12-4;1-8(2,3)12-7(11)9(4)5-6-10;8-7-6(9)3-5(4-10-7)12-2-1-11;1-6-2-4-7(5-3-6)11(8,9)10;6-5-4(7)1-3(9)2-8-5;1-2-3;1-2/h3,10,13-15H,4-9,11-12H2,1-2H3,(H2,25,29);14-15H,6-13H2,1-5H3;11-12H,5-10H2,1-4H3;11-12,17H,3-10H2,1-2H3;7-8,11H,1-6H2;8-9,14H,2-7H2,1H3;10H,4-7H2,1-3H3;4-5H,2-3H2,1H3;1-3H,(H2,10,12);6H,5H2,1-4H3;3-4,11H,1-2H2;2-5H,1H3,(H,8,9,10);1-2,9H;2H2,1H3;1H3/i;;;;;;;;;;;;;;1D3.
What are the key properties of bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane?
bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane has a molecular weight of 3690.81 g/mol, XLogP of 21.07, 52 rotatable bonds, 8 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for bromoethane;tert-butyl 4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-N-methylcarbamate;tert-butyl N-methyl-N-(2-oxoethyl)carbamate;tert-butyl piperazine-1-carboxylate;2-chloro-3-fluoro-5-(2-methoxyethoxy)pyridine;2-chloro-3-fluoro-5-[2-(oxan-2-yloxy)ethoxy]pyridine;6-chloro-5-fluoropyridin-3-ol;2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]ethanol;7-chloro-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;1-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazine;7-N-[2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]ethyl]-7-N-methyl-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-5,7-diamine;2-[4-[3-fluoro-5-(2-methoxyethoxy)-2-pyridinyl]piperazin-1-yl]-N-methylethanamine;4-methylbenzenesulfonic acid;trideuterio(iodo)methane is sourced from PubChem (CID 167615639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).