lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride

C219H220Br3Cl2F4LiN15O26P4Pd- — CID 162118711

IUPAClithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride
SMILESC.CC(C)(C)OC(=O)NCCCc1c(C(=O)O)[nH]c2ccc(-c3ccccc3F)cc12.CCOC(=O)c1[nH]c2ccc(-c3ccccc3F)cc2c1CCCNC(=O)OC(C)(C)C.CCOC(=O)c1[nH]c2ccc(-c3ccccc3F)cc2c1CCCNC(=O)OCc1ccccc1.CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCC(=O)N=[N+]=[N-].CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCC(=O)O.CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCNC(=O)OCc1ccccc1.Cl.NCCCc1c(C(=O)O)[nH]c2ccc(-c3ccccc3F)cc12.[Cl-].[H][H].[Li+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27FN2O4.C25H29FN2O4.C23H25FN2O4.C22H23BrN2O4.C18H17FN2O2.4C18H15P.C15H15BrN4O3.C15H16BrNO4.CH4.2ClH.Li.H2O.Pd.H2/c1-2-34-27(32)26-22(12-8-16-30-28(33)35-18-19-9-4-3-5-10-19)23-17-20(14-15-25(23)31-26)21-11-6-7-13-24(21)29;1-5-31-23(29)22-18(10-8-14-27-24(30)32-25(2,3)4)19-15-16(12-13-21(19)28-22)17-9-6-7-11-20(17)26;1-23(2,3)30-22(29)25-12-6-8-16-17-13-14(15-7-4-5-9-18(15)24)10-11-19(17)26-20(16)21(27)28;1-2-28-21(26)20-17(18-13-16(23)10-11-19(18)25-20)9-6-12-24-22(27)29-14-15-7-4-3-5-8-15;19-15-6-2-1-4-12(15)11-7-8-16-14(10-11)13(5-3-9-20)17(21-16)18(22)23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-23-15(22)14-10(4-3-5-13(21)19-20-17)11-8-9(16)6-7-12(11)18-14;1-2-21-15(20)14-10(4-3-5-13(18)19)11-8-9(16)6-7-12(11)17-14;;;;;;;/h3-7,9-11,13-15,17,31H,2,8,12,16,18H2,1H3,(H,30,33);6-7,9,11-13,15,28H,5,8,10,14H2,1-4H3,(H,27,30);4-5,7,9-11,13,26H,6,8,12H2,1-3H3,(H,25,29)(H,27,28);3-5,7-8,10-11,13,25H,2,6,9,12,14H2,1H3,(H,24,27);1-2,4,6-8,10,21H,3,5,9,20H2,(H,22,23);4*1-15H;6-8,18H,2-5H2,1H3;6-8,17H,2-5H2,1H3,(H,18,19);1H4;2*1H;;1H2;;1H/q;;;;;;;;;;;;;;+1;;;/p-2
InChIKeyKRHLWSZQNKCQBL-UHFFFAOYSA-L
MW4102.11 g/mol
LogP41.97
Rot. Bonds59

About lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride

lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride (PubChem CID 162118711) has the molecular formula C219H220Br3Cl2F4LiN15O26P4Pd- and a molecular weight of 4102.11 g/mol. Its IUPAC name is lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride
PubChem CID162118711
Molecular FormulaC219H220Br3Cl2F4LiN15O26P4Pd-
Molecular Weight4102.11 g/mol
Exact Mass4095.14
IUPAC Namelithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride
SMILESC.CC(C)(C)OC(=O)NCCCc1c(C(=O)O)[nH]c2ccc(-c3ccccc3F)cc12.CCOC(=O)c1[nH]c2ccc(-c3ccccc3F)cc2c1CCCNC(=O)OC(C)(C)C.CCOC(=O)c1[nH]c2ccc(-c3ccccc3F)cc2c1CCCNC(=O)OCc1ccccc1.CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCC(=O)N=[N+]=[N-].CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCC(=O)O.CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCNC(=O)OCc1ccccc1.Cl.NCCCc1c(C(=O)O)[nH]c2ccc(-c3ccccc3F)cc12.[Cl-].[H][H].[Li+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27FN2O4.C25H29FN2O4.C23H25FN2O4.C22H23BrN2O4.C18H17FN2O2.4C18H15P.C15H15BrN4O3.C15H16BrNO4.CH4.2ClH.Li.H2O.Pd.H2/c1-2-34-27(32)26-22(12-8-16-30-28(33)35-18-19-9-4-3-5-10-19)23-17-20(14-15-25(23)31-26)21-11-6-7-13-24(21)29;1-5-31-23(29)22-18(10-8-14-27-24(30)32-25(2,3)4)19-15-16(12-13-21(19)28-22)17-9-6-7-11-20(17)26;1-23(2,3)30-22(29)25-12-6-8-16-17-13-14(15-7-4-5-9-18(15)24)10-11-19(17)26-20(16)21(27)28;1-2-28-21(26)20-17(18-13-16(23)10-11-19(18)25-20)9-6-12-24-22(27)29-14-15-7-4-3-5-8-15;19-15-6-2-1-4-12(15)11-7-8-16-14(10-11)13(5-3-9-20)17(21-16)18(22)23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-23-15(22)14-10(4-3-5-13(21)19-20-17)11-8-9(16)6-7-12(11)18-14;1-2-21-15(20)14-10(4-3-5-13(18)19)11-8-9(16)6-7-12(11)17-14;;;;;;;/h3-7,9-11,13-15,17,31H,2,8,12,16,18H2,1H3,(H,30,33);6-7,9,11-13,15,28H,5,8,10,14H2,1-4H3,(H,27,30);4-5,7,9-11,13,26H,6,8,12H2,1-3H3,(H,25,29)(H,27,28);3-5,7-8,10-11,13,25H,2,6,9,12,14H2,1H3,(H,24,27);1-2,4,6-8,10,21H,3,5,9,20H2,(H,22,23);4*1-15H;6-8,18H,2-5H2,1H3;6-8,17H,2-5H2,1H3,(H,18,19);1H4;2*1H;;1H2;;1H/q;;;;;;;;;;;;;;+1;;;/p-2
InChIKeyKRHLWSZQNKCQBL-UHFFFAOYSA-L
XLogP41.97
TPSA629.10 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds59
Heavy Atoms275
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004102.11
LogP ≤ 541.97
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride?
The IUPAC name of lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride (CID 162118711) is lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride.
What is the SMILES notation for lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride?
The canonical SMILES for lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride is C.CC(C)(C)OC(=O)NCCCc1c(C(=O)O)[nH]c2ccc(-c3ccccc3F)cc12.CCOC(=O)c1[nH]c2ccc(-c3ccccc3F)cc2c1CCCNC(=O)OC(C)(C)C.CCOC(=O)c1[nH]c2ccc(-c3ccccc3F)cc2c1CCCNC(=O)OCc1ccccc1.CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCC(=O)N=[N+]=[N-].CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCC(=O)O.CCOC(=O)c1[nH]c2ccc(Br)cc2c1CCCNC(=O)OCc1ccccc1.Cl.NCCCc1c(C(=O)O)[nH]c2ccc(-c3ccccc3F)cc12.[Cl-].[H][H].[Li+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride?
The InChIKey is KRHLWSZQNKCQBL-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H27FN2O4.C25H29FN2O4.C23H25FN2O4.C22H23BrN2O4.C18H17FN2O2.4C18H15P.C15H15BrN4O3.C15H16BrNO4.CH4.2ClH.Li.H2O.Pd.H2/c1-2-34-27(32)26-22(12-8-16-30-28(33)35-18-19-9-4-3-5-10-19)23-17-20(14-15-25(23)31-26)21-11-6-7-13-24(21)29;1-5-31-23(29)22-18(10-8-14-27-24(30)32-25(2,3)4)19-15-16(12-13-21(19)28-22)17-9-6-7-11-20(17)26;1-23(2,3)30-22(29)25-12-6-8-16-17-13-14(15-7-4-5-9-18(15)24)10-11-19(17)26-20(16)21(27)28;1-2-28-21(26)20-17(18-13-16(23)10-11-19(18)25-20)9-6-12-24-22(27)29-14-15-7-4-3-5-8-15;19-15-6-2-1-4-12(15)11-7-8-16-14(10-11)13(5-3-9-20)17(21-16)18(22)23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-23-15(22)14-10(4-3-5-13(21)19-20-17)11-8-9(16)6-7-12(11)18-14;1-2-21-15(20)14-10(4-3-5-13(18)19)11-8-9(16)6-7-12(11)17-14;;;;;;;/h3-7,9-11,13-15,17,31H,2,8,12,16,18H2,1H3,(H,30,33);6-7,9,11-13,15,28H,5,8,10,14H2,1-4H3,(H,27,30);4-5,7,9-11,13,26H,6,8,12H2,1-3H3,(H,25,29)(H,27,28);3-5,7-8,10-11,13,25H,2,6,9,12,14H2,1H3,(H,24,27);1-2,4,6-8,10,21H,3,5,9,20H2,(H,22,23);4*1-15H;6-8,18H,2-5H2,1H3;6-8,17H,2-5H2,1H3,(H,18,19);1H4;2*1H;;1H2;;1H/q;;;;;;;;;;;;;;+1;;;/p-2.
What are the key properties of lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride?
lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride has a molecular weight of 4102.11 g/mol, XLogP of 41.97, 59 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;4-(5-bromo-2-ethoxycarbonyl-1H-indol-3-yl)butanoic acid;ethyl 3-(4-azido-4-oxobutyl)-5-bromo-1H-indole-2-carboxylate;ethyl 5-bromo-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylate;ethyl 5-(2-fluorophenyl)-3-[3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate;5-(2-fluorophenyl)-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-2-carboxylic acid;methane;molecular hydrogen;palladium;tetrakis(triphenylphosphane);chloride;hydroxide;hydrochloride is sourced from PubChem (CID 162118711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).