lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide

C188H220BBr7Cl4F8LiN19O41Si3V — CID 167661642

IUPAClithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide
SMILESC.C.C.C.C.C.C=CCC1(CC=C)C(=O)Nc2cc(C(=O)OC)cc(Br)c21.CC(C)(C)[Si](C)(C)OC1CC2(CC1O)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c12.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CC1CC2(CC1O[Si](C)(C)C(C)(C)C)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c12.CC1CC2(CC1O[Si](C)(C)C(C)(C)C)C(=O)Nc1cc(C(=O)O)cc(Br)c12.COC(=O)c1cc(Br)c2c(c1)NC(=O)C2.COC(=O)c1cc(Br)c2c(c1)NC(=O)C21CC(O)C(O)C1.COC(=O)c1cc(Br)c2c(c1)NC(=O)C21CC=CC1.Nc1ccc(OC(F)(F)Cl)cc1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc2c(c(-c3ccn[nH]3)c1)C1(CC(O)C(O)C1)C(=O)N2.O=C(O)c1cc(Br)c2c(c1)NC(=O)C21CC(O)C(O)C1.[Li+].[OH-].[V]
InChIInChI=1S/C29H33ClF2N4O5Si.C27H32BrClF2N2O4Si.C23H19ClF2N4O5.C20H28BrNO4Si.C16H16BrNO3.C14H14BrNO5.C14H12BrNO3.C13H12BrNO5.C10H8BrNO3.C9H15BN2O2.C7H6ClF2NO.6CH4.Li.H2O.V/c1-27(2,3)42(4,5)41-23-15-28(14-22(23)37)24-19(20-10-11-33-36-20)12-16(13-21(24)35-26(28)39)25(38)34-17-6-8-18(9-7-17)40-29(30,31)32;1-15-13-26(14-21(15)37-38(5,6)25(2,3)4)22-19(28)11-16(12-20(22)33-24(26)35)23(34)32-17-7-9-18(10-8-17)36-27(29,30)31;24-23(25,26)35-13-3-1-12(2-4-13)28-20(33)11-7-14(15-5-6-27-30-15)19-16(8-11)29-21(34)22(19)9-17(31)18(32)10-22;1-11-9-20(10-15(11)26-27(5,6)19(2,3)4)16-13(21)7-12(17(23)24)8-14(16)22-18(20)25;1-4-6-16(7-5-2)13-11(17)8-10(14(19)21-3)9-12(13)18-15(16)20;1-21-12(19)6-2-7(15)11-8(3-6)16-13(20)14(11)4-9(17)10(18)5-14;1-19-12(17)8-6-9(15)11-10(7-8)16-13(18)14(11)4-2-3-5-14;14-6-1-5(11(18)19)2-7-10(6)13(12(20)15-7)3-8(16)9(17)4-13;1-15-10(14)5-2-7(11)6-4-9(13)12-8(6)3-5;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;8-7(9,10)12-6-3-1-5(11)2-4-6;;;;;;;;;/h6-13,22-23,37H,14-15H2,1-5H3,(H,33,36)(H,34,38)(H,35,39);7-12,15,21H,13-14H2,1-6H3,(H,32,34)(H,33,35);1-8,17-18,31-32H,9-10H2,(H,27,30)(H,28,33)(H,29,34);7-8,11,15H,9-10H2,1-6H3,(H,22,25)(H,23,24);4-5,8-9H,1-2,6-7H2,3H3,(H,18,20);2-3,9-10,17-18H,4-5H2,1H3,(H,16,20);2-3,6-7H,4-5H2,1H3,(H,16,18);1-2,8-9,16-17H,3-4H2,(H,15,20)(H,18,19);2-3H,4H2,1H3,(H,12,13);5-6H,1-4H3,(H,11,12);1-4H,11H2;6*1H4;;1H2;/q;;;;;;;;;;;;;;;;;+1;;/p-1
InChIKeyRVASEHJPBFTOAY-UHFFFAOYSA-M
MW4408.00 g/mol
LogP36.14
Rot. Bonds33

About lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide

lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide (PubChem CID 167661642) has the molecular formula C188H220BBr7Cl4F8LiN19O41Si3V and a molecular weight of 4408.00 g/mol. Its IUPAC name is lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide.

Molecular Properties

Compound Namelithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide
PubChem CID167661642
Molecular FormulaC188H220BBr7Cl4F8LiN19O41Si3V
Molecular Weight4408.00 g/mol
Exact Mass4396.76
IUPAC Namelithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide
SMILESC.C.C.C.C.C.C=CCC1(CC=C)C(=O)Nc2cc(C(=O)OC)cc(Br)c21.CC(C)(C)[Si](C)(C)OC1CC2(CC1O)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c12.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CC1CC2(CC1O[Si](C)(C)C(C)(C)C)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c12.CC1CC2(CC1O[Si](C)(C)C(C)(C)C)C(=O)Nc1cc(C(=O)O)cc(Br)c12.COC(=O)c1cc(Br)c2c(c1)NC(=O)C2.COC(=O)c1cc(Br)c2c(c1)NC(=O)C21CC(O)C(O)C1.COC(=O)c1cc(Br)c2c(c1)NC(=O)C21CC=CC1.Nc1ccc(OC(F)(F)Cl)cc1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc2c(c(-c3ccn[nH]3)c1)C1(CC(O)C(O)C1)C(=O)N2.O=C(O)c1cc(Br)c2c(c1)NC(=O)C21CC(O)C(O)C1.[Li+].[OH-].[V]
InChIInChI=1S/C29H33ClF2N4O5Si.C27H32BrClF2N2O4Si.C23H19ClF2N4O5.C20H28BrNO4Si.C16H16BrNO3.C14H14BrNO5.C14H12BrNO3.C13H12BrNO5.C10H8BrNO3.C9H15BN2O2.C7H6ClF2NO.6CH4.Li.H2O.V/c1-27(2,3)42(4,5)41-23-15-28(14-22(23)37)24-19(20-10-11-33-36-20)12-16(13-21(24)35-26(28)39)25(38)34-17-6-8-18(9-7-17)40-29(30,31)32;1-15-13-26(14-21(15)37-38(5,6)25(2,3)4)22-19(28)11-16(12-20(22)33-24(26)35)23(34)32-17-7-9-18(10-8-17)36-27(29,30)31;24-23(25,26)35-13-3-1-12(2-4-13)28-20(33)11-7-14(15-5-6-27-30-15)19-16(8-11)29-21(34)22(19)9-17(31)18(32)10-22;1-11-9-20(10-15(11)26-27(5,6)19(2,3)4)16-13(21)7-12(17(23)24)8-14(16)22-18(20)25;1-4-6-16(7-5-2)13-11(17)8-10(14(19)21-3)9-12(13)18-15(16)20;1-21-12(19)6-2-7(15)11-8(3-6)16-13(20)14(11)4-9(17)10(18)5-14;1-19-12(17)8-6-9(15)11-10(7-8)16-13(18)14(11)4-2-3-5-14;14-6-1-5(11(18)19)2-7-10(6)13(12(20)15-7)3-8(16)9(17)4-13;1-15-10(14)5-2-7(11)6-4-9(13)12-8(6)3-5;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;8-7(9,10)12-6-3-1-5(11)2-4-6;;;;;;;;;/h6-13,22-23,37H,14-15H2,1-5H3,(H,33,36)(H,34,38)(H,35,39);7-12,15,21H,13-14H2,1-6H3,(H,32,34)(H,33,35);1-8,17-18,31-32H,9-10H2,(H,27,30)(H,28,33)(H,29,34);7-8,11,15H,9-10H2,1-6H3,(H,22,25)(H,23,24);4-5,8-9H,1-2,6-7H2,3H3,(H,18,20);2-3,9-10,17-18H,4-5H2,1H3,(H,16,20);2-3,6-7H,4-5H2,1H3,(H,16,18);1-2,8-9,16-17H,3-4H2,(H,15,20)(H,18,19);2-3H,4H2,1H3,(H,12,13);5-6H,1-4H3,(H,11,12);1-4H,11H2;6*1H4;;1H2;/q;;;;;;;;;;;;;;;;;+1;;/p-1
InChIKeyRVASEHJPBFTOAY-UHFFFAOYSA-M
XLogP36.14
TPSA895.74 Ų
H-Bond Donors25
H-Bond Acceptors43
Rotatable Bonds33
Heavy Atoms273
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004408.00
LogP ≤ 536.14
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1043

Analyze lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide?
The IUPAC name of lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide (CID 167661642) is lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide.
What is the SMILES notation for lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide?
The canonical SMILES for lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide is C.C.C.C.C.C.C=CCC1(CC=C)C(=O)Nc2cc(C(=O)OC)cc(Br)c21.CC(C)(C)[Si](C)(C)OC1CC2(CC1O)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c12.CC1(C)OB(c2ccn[nH]2)OC1(C)C.CC1CC2(CC1O[Si](C)(C)C(C)(C)C)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(Br)c12.CC1CC2(CC1O[Si](C)(C)C(C)(C)C)C(=O)Nc1cc(C(=O)O)cc(Br)c12.COC(=O)c1cc(Br)c2c(c1)NC(=O)C2.COC(=O)c1cc(Br)c2c(c1)NC(=O)C21CC(O)C(O)C1.COC(=O)c1cc(Br)c2c(c1)NC(=O)C21CC=CC1.Nc1ccc(OC(F)(F)Cl)cc1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cc2c(c(-c3ccn[nH]3)c1)C1(CC(O)C(O)C1)C(=O)N2.O=C(O)c1cc(Br)c2c(c1)NC(=O)C21CC(O)C(O)C1.[Li+].[OH-].[V].
What is the InChIKey of lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide?
The InChIKey is RVASEHJPBFTOAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H33ClF2N4O5Si.C27H32BrClF2N2O4Si.C23H19ClF2N4O5.C20H28BrNO4Si.C16H16BrNO3.C14H14BrNO5.C14H12BrNO3.C13H12BrNO5.C10H8BrNO3.C9H15BN2O2.C7H6ClF2NO.6CH4.Li.H2O.V/c1-27(2,3)42(4,5)41-23-15-28(14-22(23)37)24-19(20-10-11-33-36-20)12-16(13-21(24)35-26(28)39)25(38)34-17-6-8-18(9-7-17)40-29(30,31)32;1-15-13-26(14-21(15)37-38(5,6)25(2,3)4)22-19(28)11-16(12-20(22)33-24(26)35)23(34)32-17-7-9-18(10-8-17)36-27(29,30)31;24-23(25,26)35-13-3-1-12(2-4-13)28-20(33)11-7-14(15-5-6-27-30-15)19-16(8-11)29-21(34)22(19)9-17(31)18(32)10-22;1-11-9-20(10-15(11)26-27(5,6)19(2,3)4)16-13(21)7-12(17(23)24)8-14(16)22-18(20)25;1-4-6-16(7-5-2)13-11(17)8-10(14(19)21-3)9-12(13)18-15(16)20;1-21-12(19)6-2-7(15)11-8(3-6)16-13(20)14(11)4-9(17)10(18)5-14;1-19-12(17)8-6-9(15)11-10(7-8)16-13(18)14(11)4-2-3-5-14;14-6-1-5(11(18)19)2-7-10(6)13(12(20)15-7)3-8(16)9(17)4-13;1-15-10(14)5-2-7(11)6-4-9(13)12-8(6)3-5;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;8-7(9,10)12-6-3-1-5(11)2-4-6;;;;;;;;;/h6-13,22-23,37H,14-15H2,1-5H3,(H,33,36)(H,34,38)(H,35,39);7-12,15,21H,13-14H2,1-6H3,(H,32,34)(H,33,35);1-8,17-18,31-32H,9-10H2,(H,27,30)(H,28,33)(H,29,34);7-8,11,15H,9-10H2,1-6H3,(H,22,25)(H,23,24);4-5,8-9H,1-2,6-7H2,3H3,(H,18,20);2-3,9-10,17-18H,4-5H2,1H3,(H,16,20);2-3,6-7H,4-5H2,1H3,(H,16,18);1-2,8-9,16-17H,3-4H2,(H,15,20)(H,18,19);2-3H,4H2,1H3,(H,12,13);5-6H,1-4H3,(H,11,12);1-4H,11H2;6*1H4;;1H2;/q;;;;;;;;;;;;;;;;;+1;;/p-1.
What are the key properties of lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide?
lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide has a molecular weight of 4408.00 g/mol, XLogP of 36.14, 33 rotatable bonds, 25 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-bromo-3'-[tert-butyl(dimethyl)silyl]oxy-4'-methyl-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylic acid;3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-4'-hydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;4-[chloro(difluoro)methoxy]aniline;N-[4-[chloro(difluoro)methoxy]phenyl]-3',4'-dihydroxy-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide;methane;methyl 4-bromo-3',4'-dihydroxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-6-carboxylate;methyl 4-bromo-2-oxo-3,3-bis(prop-2-enyl)-1H-indole-6-carboxylate;methyl 4-bromo-2-oxo-1,3-dihydroindole-6-carboxylate;methyl 4-bromo-2-oxospiro[1H-indole-3,4'-cyclopentene]-6-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;vanadium;hydroxide is sourced from PubChem (CID 167661642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).