lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate

C165H202BBr2F5LiN23O32 — CID 159516704

IUPAClithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)[O-])nc2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].COC(=O)c1ccc(Br)cn1.COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Fc1ccc(Br)cc1.[Li+]
InChIInChI=1S/C33H39FN4O5.C28H31FN4O3.C17H25BN2O6.C17H17FN2O4.C17H19FN2O2.C16H23N3O4.C15H21N3O4.C9H18N2O2.C7H6BrNO2.C6H4BrF.Li/c1-32(2,3)42-30(40)36-27-13-9-23(22-7-11-26(34)12-8-22)19-25(27)20-28(39)24-10-14-29(35-21-24)37-15-17-38(18-16-37)31(41)43-33(4,5)6;1-28(2,3)36-27(35)32-24-10-6-20(19-4-8-23(29)9-5-19)16-22(24)17-25(34)21-7-11-26(31-18-21)33-14-12-30-13-15-33;1-15(2,3)24-14(21)19-12-9-8-11(10-13(12)20(22)23)18-25-16(4,5)17(6,7)26-18;1-17(2,3)24-16(21)19-14-9-6-12(10-15(14)20(22)23)11-4-7-13(18)8-5-11;1-17(2,3)22-16(21)20-15-9-6-12(10-14(15)19)11-4-7-13(18)8-5-11;1-16(2,3)23-15(21)19-9-7-18(8-10-19)12-5-6-13(17-11-12)14(20)22-4;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-11-7(10)6-3-2-5(8)4-9-6;7-5-1-3-6(8)4-2-5;/h7-14,19,21H,15-18,20H2,1-6H3,(H,36,40);4-11,16,18,30H,12-15,17H2,1-3H3,(H,32,35);8-10H,1-7H3,(H,19,21);4-10H,1-3H3,(H,19,21);4-10H,19H2,1-3H3,(H,20,21);5-6,11H,7-10H2,1-4H3;4-5,10H,6-9H2,1-3H3,(H,19,20);10H,4-7H2,1-3H3;2-4H,1H3;1-4H;/q;;;;;;;;;;+1/p-1
InChIKeyMBHDYUDRELVBKH-UHFFFAOYSA-M
MW3292.11 g/mol
LogP28.67
Rot. Bonds25

About lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate

lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate (PubChem CID 159516704) has the molecular formula C165H202BBr2F5LiN23O32 and a molecular weight of 3292.11 g/mol. Its IUPAC name is lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namelithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate
PubChem CID159516704
Molecular FormulaC165H202BBr2F5LiN23O32
Molecular Weight3292.11 g/mol
Exact Mass3288.34
IUPAC Namelithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)[O-])nc2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].COC(=O)c1ccc(Br)cn1.COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Fc1ccc(Br)cc1.[Li+]
InChIInChI=1S/C33H39FN4O5.C28H31FN4O3.C17H25BN2O6.C17H17FN2O4.C17H19FN2O2.C16H23N3O4.C15H21N3O4.C9H18N2O2.C7H6BrNO2.C6H4BrF.Li/c1-32(2,3)42-30(40)36-27-13-9-23(22-7-11-26(34)12-8-22)19-25(27)20-28(39)24-10-14-29(35-21-24)37-15-17-38(18-16-37)31(41)43-33(4,5)6;1-28(2,3)36-27(35)32-24-10-6-20(19-4-8-23(29)9-5-19)16-22(24)17-25(34)21-7-11-26(31-18-21)33-14-12-30-13-15-33;1-15(2,3)24-14(21)19-12-9-8-11(10-13(12)20(22)23)18-25-16(4,5)17(6,7)26-18;1-17(2,3)24-16(21)19-14-9-6-12(10-15(14)20(22)23)11-4-7-13(18)8-5-11;1-17(2,3)22-16(21)20-15-9-6-12(10-14(15)19)11-4-7-13(18)8-5-11;1-16(2,3)23-15(21)19-9-7-18(8-10-19)12-5-6-13(17-11-12)14(20)22-4;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-11-7(10)6-3-2-5(8)4-9-6;7-5-1-3-6(8)4-2-5;/h7-14,19,21H,15-18,20H2,1-6H3,(H,36,40);4-11,16,18,30H,12-15,17H2,1-3H3,(H,32,35);8-10H,1-7H3,(H,19,21);4-10H,1-3H3,(H,19,21);4-10H,19H2,1-3H3,(H,20,21);5-6,11H,7-10H2,1-4H3;4-5,10H,6-9H2,1-3H3,(H,19,20);10H,4-7H2,1-3H3;2-4H,1H3;1-4H;/q;;;;;;;;;;+1/p-1
InChIKeyMBHDYUDRELVBKH-UHFFFAOYSA-M
XLogP28.67
TPSA668.91 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds25
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003292.11
LogP ≤ 528.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate with MolForge

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Related Compounds

lithium;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[6-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate
CID 158412085
1-bromo-4-fluorobenzene;tert-butyl 4-[6-[[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]quinolin-2-yl]piperazine-1-carboxylate;bis(tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate);tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-6-carboxylic acid
CID 158685524
2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;tert-butyl N-[2-amino-4-(3,5-difluorophenyl)phenyl]carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[5-[2-[5-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(3,5-difluorophenyl)-2-nitrophenyl]carbamate;(3,5-difluorophenyl)boronic acid;6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 159683996
2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[6-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]quinolin-2-yl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-6-carboxylic acid
CID 160142641
lithium;N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-ylpyridine-2-carboxamide;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[6-[[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate
CID 161279106
2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 161289466
2-(2-amino-5-pyridin-2-ylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-bromopyridine;tert-butyl N-(2-amino-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-(4-bromo-2-nitrophenyl)carbamate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-2-ylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl N-(2-nitro-4-pyridin-2-ylphenyl)carbamate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 161793860
lithium;2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(5-piperidin-4-yl-2-pyridinyl)ethanone;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[6-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-3-pyridinyl]piperidine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate
CID 168381903
2-[2-amino-5-(4-fluorophenyl)phenyl]-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[6-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]quinolin-2-yl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-6-carboxylic acid;2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 168393616

Frequently Asked Questions

What is the IUPAC name of lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate?
The IUPAC name of lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate (CID 159516704) is lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)[O-])nc2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2ccc(F)cc2)cc1[N+](=O)[O-].CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-].COC(=O)c1ccc(Br)cn1.COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1.Fc1ccc(Br)cc1.[Li+].
What is the InChIKey of lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate?
The InChIKey is MBHDYUDRELVBKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C33H39FN4O5.C28H31FN4O3.C17H25BN2O6.C17H17FN2O4.C17H19FN2O2.C16H23N3O4.C15H21N3O4.C9H18N2O2.C7H6BrNO2.C6H4BrF.Li/c1-32(2,3)42-30(40)36-27-13-9-23(22-7-11-26(34)12-8-22)19-25(27)20-28(39)24-10-14-29(35-21-24)37-15-17-38(18-16-37)31(41)43-33(4,5)6;1-28(2,3)36-27(35)32-24-10-6-20(19-4-8-23(29)9-5-19)16-22(24)17-25(34)21-7-11-26(31-18-21)33-14-12-30-13-15-33;1-15(2,3)24-14(21)19-12-9-8-11(10-13(12)20(22)23)18-25-16(4,5)17(6,7)26-18;1-17(2,3)24-16(21)19-14-9-6-12(10-15(14)20(22)23)11-4-7-13(18)8-5-11;1-17(2,3)22-16(21)20-15-9-6-12(10-14(15)19)11-4-7-13(18)8-5-11;1-16(2,3)23-15(21)19-9-7-18(8-10-19)12-5-6-13(17-11-12)14(20)22-4;1-15(2,3)22-14(21)18-8-6-17(7-9-18)11-4-5-12(13(19)20)16-10-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-11-7(10)6-3-2-5(8)4-9-6;7-5-1-3-6(8)4-2-5;/h7-14,19,21H,15-18,20H2,1-6H3,(H,36,40);4-11,16,18,30H,12-15,17H2,1-3H3,(H,32,35);8-10H,1-7H3,(H,19,21);4-10H,1-3H3,(H,19,21);4-10H,19H2,1-3H3,(H,20,21);5-6,11H,7-10H2,1-4H3;4-5,10H,6-9H2,1-3H3,(H,19,20);10H,4-7H2,1-3H3;2-4H,1H3;1-4H;/q;;;;;;;;;;+1/p-1.
What are the key properties of lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate?
lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate has a molecular weight of 3292.11 g/mol, XLogP of 28.67, 25 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-bromo-4-fluorobenzene;tert-butyl N-[2-amino-4-(4-fluorophenyl)phenyl]carbamate;tert-butyl 4-[5-[2-[5-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]-2-pyridinyl]piperazine-1-carboxylate;tert-butyl N-[4-(4-fluorophenyl)-2-nitrophenyl]carbamate;tert-butyl N-[4-(4-fluorophenyl)-2-[2-oxo-2-(6-piperazin-1-yl-3-pyridinyl)ethyl]phenyl]carbamate;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl N-[2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 159516704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).