lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide

C228H293BBr3Cl2F4LiN24O54 — CID 167577976

IUPAClithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide
SMILESC.C1COCCN1.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2CC1(C)C(=O)N1CCOCC1.CC(C)N1c2c(cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)CC1(C)C(=O)N1CCOCC1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.COC(=O)c1cc(Br)c2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1cc(Br)c2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1ccc2[nH]c(C(=O)OC(C)(C)C)cc2c1.COC(=O)c1ccc2c(c1)CC(C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)CC(C)(C(=O)N1CCOCC1)N2.COC(=O)c1ccc2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1ccc2c(c1)CC(C)(C(=O)O)N2.COC(=O)c1ccc2c(c1)CC(C)(C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)cc(C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C.[Li+].[OH-]
InChIInChI=1S/C28H30ClF2N5O4.C25H27BrClF2N3O4.C21H29NO6.C20H27NO6.C20H25NO6.2C19H25BrN2O4.C19H26N2O4.C16H20N2O4.C15H17NO4.C12H13NO4.C9H15BN2O2.C4H9NO.CH4.Li.H2O/c1-17(2)36-24-19(16-27(36,3)26(38)35-10-12-39-13-11-35)14-18(15-22(24)23-8-9-32-34-23)25(37)33-20-4-6-21(7-5-20)40-28(29,30)31;1-15(2)32-21-17(14-24(32,3)23(34)31-8-10-35-11-9-31)12-16(13-20(21)26)22(33)30-18-4-6-19(7-5-18)36-25(27,28)29;1-19(2,3)27-17(24)21(7)12-14-11-13(16(23)26-8)9-10-15(14)22(21)18(25)28-20(4,5)6;2*1-19(2,3)26-17(23)15-11-13-10-12(16(22)25-7)8-9-14(13)21(15)18(24)27-20(4,5)6;2*1-12(2)22-16-14(9-13(10-15(16)20)17(23)25-4)11-19(22,3)18(24)21-5-7-26-8-6-21;1-13(2)21-16-6-5-14(17(22)24-4)11-15(16)12-19(21,3)18(23)20-7-9-25-10-8-20;1-16(15(20)18-5-7-22-8-6-18)10-12-9-11(14(19)21-2)3-4-13(12)17-16;1-15(2,3)20-14(18)12-8-10-7-9(13(17)19-4)5-6-11(10)16-12;1-12(11(15)16)6-8-5-7(10(14)17-2)3-4-9(8)13-12;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-3-6-4-2-5-1;;;/h4-9,14-15,17H,10-13,16H2,1-3H3,(H,32,34)(H,33,37);4-7,12-13,15H,8-11,14H2,1-3H3,(H,30,33);9-11H,12H2,1-8H3;8-10,15H,11H2,1-7H3;8-11H,1-7H3;2*9-10,12H,5-8,11H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3;3-4,9,17H,5-8,10H2,1-2H3;5-8,16H,1-4H3;3-5,13H,6H2,1-2H3,(H,15,16);5-6H,1-4H3,(H,11,12);5H,1-4H2;1H4;;1H2/q;;;;;;;;;;;;;;+1;/p-1
InChIKeyGUESPTKHONJZSY-UHFFFAOYSA-M
MW4638.33 g/mol
LogP31.80
Rot. Bonds35

About lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide

lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide (PubChem CID 167577976) has the molecular formula C228H293BBr3Cl2F4LiN24O54 and a molecular weight of 4638.33 g/mol. Its IUPAC name is lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide.

Molecular Properties

Compound Namelithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide
PubChem CID167577976
Molecular FormulaC228H293BBr3Cl2F4LiN24O54
Molecular Weight4638.33 g/mol
Exact Mass4631.80
IUPAC Namelithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide
SMILESC.C1COCCN1.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2CC1(C)C(=O)N1CCOCC1.CC(C)N1c2c(cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)CC1(C)C(=O)N1CCOCC1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.COC(=O)c1cc(Br)c2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1cc(Br)c2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1ccc2[nH]c(C(=O)OC(C)(C)C)cc2c1.COC(=O)c1ccc2c(c1)CC(C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)CC(C)(C(=O)N1CCOCC1)N2.COC(=O)c1ccc2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1ccc2c(c1)CC(C)(C(=O)O)N2.COC(=O)c1ccc2c(c1)CC(C)(C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)cc(C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C.[Li+].[OH-]
InChIInChI=1S/C28H30ClF2N5O4.C25H27BrClF2N3O4.C21H29NO6.C20H27NO6.C20H25NO6.2C19H25BrN2O4.C19H26N2O4.C16H20N2O4.C15H17NO4.C12H13NO4.C9H15BN2O2.C4H9NO.CH4.Li.H2O/c1-17(2)36-24-19(16-27(36,3)26(38)35-10-12-39-13-11-35)14-18(15-22(24)23-8-9-32-34-23)25(37)33-20-4-6-21(7-5-20)40-28(29,30)31;1-15(2)32-21-17(14-24(32,3)23(34)31-8-10-35-11-9-31)12-16(13-20(21)26)22(33)30-18-4-6-19(7-5-18)36-25(27,28)29;1-19(2,3)27-17(24)21(7)12-14-11-13(16(23)26-8)9-10-15(14)22(21)18(25)28-20(4,5)6;2*1-19(2,3)26-17(23)15-11-13-10-12(16(22)25-7)8-9-14(13)21(15)18(24)27-20(4,5)6;2*1-12(2)22-16-14(9-13(10-15(16)20)17(23)25-4)11-19(22,3)18(24)21-5-7-26-8-6-21;1-13(2)21-16-6-5-14(17(22)24-4)11-15(16)12-19(21,3)18(23)20-7-9-25-10-8-20;1-16(15(20)18-5-7-22-8-6-18)10-12-9-11(14(19)21-2)3-4-13(12)17-16;1-15(2,3)20-14(18)12-8-10-7-9(13(17)19-4)5-6-11(10)16-12;1-12(11(15)16)6-8-5-7(10(14)17-2)3-4-9(8)13-12;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-3-6-4-2-5-1;;;/h4-9,14-15,17H,10-13,16H2,1-3H3,(H,32,34)(H,33,37);4-7,12-13,15H,8-11,14H2,1-3H3,(H,30,33);9-11H,12H2,1-8H3;8-10,15H,11H2,1-7H3;8-11H,1-7H3;2*9-10,12H,5-8,11H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3;3-4,9,17H,5-8,10H2,1-2H3;5-8,16H,1-4H3;3-5,13H,6H2,1-2H3,(H,15,16);5-6H,1-4H3,(H,11,12);5H,1-4H2;1H4;;1H2/q;;;;;;;;;;;;;;+1;/p-1
InChIKeyGUESPTKHONJZSY-UHFFFAOYSA-M
XLogP31.80
TPSA906.54 Ų
H-Bond Donors9
H-Bond Acceptors64
Rotatable Bonds35
Heavy Atoms317
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004638.33
LogP ≤ 531.80
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1064

Analyze lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide?
The IUPAC name of lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide (CID 167577976) is lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide.
What is the SMILES notation for lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide?
The canonical SMILES for lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide is C.C1COCCN1.CC(C)N1c2c(Br)cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2CC1(C)C(=O)N1CCOCC1.CC(C)N1c2c(cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)CC1(C)C(=O)N1CCOCC1.CC1(C)OB(c2ccn[nH]2)OC1(C)C.COC(=O)c1cc(Br)c2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1cc(Br)c2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1ccc2[nH]c(C(=O)OC(C)(C)C)cc2c1.COC(=O)c1ccc2c(c1)CC(C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)CC(C)(C(=O)N1CCOCC1)N2.COC(=O)c1ccc2c(c1)CC(C)(C(=O)N1CCOCC1)N2C(C)C.COC(=O)c1ccc2c(c1)CC(C)(C(=O)O)N2.COC(=O)c1ccc2c(c1)CC(C)(C(=O)OC(C)(C)C)N2C(=O)OC(C)(C)C.COC(=O)c1ccc2c(c1)cc(C(=O)OC(C)(C)C)n2C(=O)OC(C)(C)C.[Li+].[OH-].
What is the InChIKey of lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide?
The InChIKey is GUESPTKHONJZSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H30ClF2N5O4.C25H27BrClF2N3O4.C21H29NO6.C20H27NO6.C20H25NO6.2C19H25BrN2O4.C19H26N2O4.C16H20N2O4.C15H17NO4.C12H13NO4.C9H15BN2O2.C4H9NO.CH4.Li.H2O/c1-17(2)36-24-19(16-27(36,3)26(38)35-10-12-39-13-11-35)14-18(15-22(24)23-8-9-32-34-23)25(37)33-20-4-6-21(7-5-20)40-28(29,30)31;1-15(2)32-21-17(14-24(32,3)23(34)31-8-10-35-11-9-31)12-16(13-20(21)26)22(33)30-18-4-6-19(7-5-18)36-25(27,28)29;1-19(2,3)27-17(24)21(7)12-14-11-13(16(23)26-8)9-10-15(14)22(21)18(25)28-20(4,5)6;2*1-19(2,3)26-17(23)15-11-13-10-12(16(22)25-7)8-9-14(13)21(15)18(24)27-20(4,5)6;2*1-12(2)22-16-14(9-13(10-15(16)20)17(23)25-4)11-19(22,3)18(24)21-5-7-26-8-6-21;1-13(2)21-16-6-5-14(17(22)24-4)11-15(16)12-19(21,3)18(23)20-7-9-25-10-8-20;1-16(15(20)18-5-7-22-8-6-18)10-12-9-11(14(19)21-2)3-4-13(12)17-16;1-15(2,3)20-14(18)12-8-10-7-9(13(17)19-4)5-6-11(10)16-12;1-12(11(15)16)6-8-5-7(10(14)17-2)3-4-9(8)13-12;1-8(2)9(3,4)14-10(13-8)7-5-6-11-12-7;1-3-6-4-2-5-1;;;/h4-9,14-15,17H,10-13,16H2,1-3H3,(H,32,34)(H,33,37);4-7,12-13,15H,8-11,14H2,1-3H3,(H,30,33);9-11H,12H2,1-8H3;8-10,15H,11H2,1-7H3;8-11H,1-7H3;2*9-10,12H,5-8,11H2,1-4H3;5-6,11,13H,7-10,12H2,1-4H3;3-4,9,17H,5-8,10H2,1-2H3;5-8,16H,1-4H3;3-5,13H,6H2,1-2H3,(H,15,16);5-6H,1-4H3,(H,11,12);5H,1-4H2;1H4;;1H2/q;;;;;;;;;;;;;;+1;/p-1.
What are the key properties of lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide?
lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide has a molecular weight of 4638.33 g/mol, XLogP of 31.80, 35 rotatable bonds, 9 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;7-bromo-N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxamide;2-O-tert-butyl 5-O-methyl 1H-indole-2,5-dicarboxylate;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)-3H-indole-5-carboxamide;1-O,2-O-ditert-butyl 5-O-methyl 2,3-dihydroindole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl indole-1,2,5-tricarboxylate;1-O,2-O-ditert-butyl 5-O-methyl 2-methyl-3H-indole-1,2,5-tricarboxylate;methane;5-methoxycarbonyl-2-methyl-1,3-dihydroindole-2-carboxylic acid;bis(methyl 7-bromo-2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate);methyl 2-methyl-2-(morpholine-4-carbonyl)-1,3-dihydroindole-5-carboxylate;methyl 2-methyl-2-(morpholine-4-carbonyl)-1-propan-2-yl-3H-indole-5-carboxylate;morpholine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydroxide is sourced from PubChem (CID 167577976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).