lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide

C222H280F4LiN37O41 — CID 160889071

IUPAClithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide
SMILESCC(C)(C)OCc1nn(CCc2ccc3cccnc3n2)cc1C(=O)O.CCOC(=O)C[C@H](CC(=O)c1cn(Cc2cc3cccnc3nc2C)nc1COC(C)(C)C)c1ccc(OC)c(F)c1.CCOC(=O)C[C@H](N)c1ccc(OC)c(F)c1.CCOC(=O)C[C@H](NC(=O)c1cn(CCc2ccc3cccnc3n2)nc1COC(C)(C)C)c1ccc(OC)c(F)c1.CCOC(=O)c1cn(CCC(C)=O)nc1COC(C)(C)C.CCOC(=O)c1cn(CCC2(C)OCCO2)nc1COC(C)(C)C.CCOC(=O)c1cn(CCc2ccc3cccnc3n2)nc1COC(C)(C)C.CCOC(=O)c1cn(Cc2cc3cccnc3nc2C)nc1COC(C)(C)C.COc1ccc([C@H](CC(=O)O)NC(=O)c2cn(CCc3ccc4c(n3)NCCC4)nc2COC(C)(C)C)cc1F.Cc1nc2ncccc2cc1Cn1cc(C(=O)O)c(COC(C)(C)C)n1.Nc1ncccc1C=O.[Li+].[OH-]
InChIInChI=1S/C32H37FN4O5.C31H36FN5O5.C29H36FN5O5.2C21H26N4O3.2C19H22N4O3.C17H28N2O5.C15H24N2O4.C12H16FNO3.C6H6N2O.Li.H2O/c1-7-41-30(39)16-23(21-10-11-29(40-6)26(33)14-21)15-28(38)25-18-37(36-27(25)19-42-32(3,4)5)17-24-13-22-9-8-12-34-31(22)35-20(24)2;1-6-41-28(38)17-25(21-10-12-27(40-5)24(32)16-21)35-30(39)23-18-37(36-26(23)19-42-31(2,3)4)15-13-22-11-9-20-8-7-14-33-29(20)34-22;1-29(2,3)40-17-24-21(16-35(34-24)13-11-20-9-7-18-6-5-12-31-27(18)32-20)28(38)33-23(15-26(36)37)19-8-10-25(39-4)22(30)14-19;1-6-27-20(26)17-12-25(24-18(17)13-28-21(3,4)5)11-16-10-15-8-7-9-22-19(15)23-14(16)2;1-5-27-20(26)17-13-25(24-18(17)14-28-21(2,3)4)12-10-16-9-8-15-7-6-11-22-19(15)23-16;1-12-14(8-13-6-5-7-20-17(13)21-12)9-23-10-15(18(24)25)16(22-23)11-26-19(2,3)4;1-19(2,3)26-12-16-15(18(24)25)11-23(22-16)10-8-14-7-6-13-5-4-9-20-17(13)21-14;1-6-21-15(20)13-11-19(8-7-17(5)22-9-10-23-17)18-14(13)12-24-16(2,3)4;1-6-20-14(19)12-9-17(8-7-11(2)18)16-13(12)10-21-15(3,4)5;1-3-17-12(15)7-10(14)8-4-5-11(16-2)9(13)6-8;7-6-5(4-9)2-1-3-8-6;;/h8-14,18,23H,7,15-17,19H2,1-6H3;7-12,14,16,18,25H,6,13,15,17,19H2,1-5H3,(H,35,39);7-10,14,16,23H,5-6,11-13,15,17H2,1-4H3,(H,31,32)(H,33,38)(H,36,37);7-10,12H,6,11,13H2,1-5H3;6-9,11,13H,5,10,12,14H2,1-4H3;5-8,10H,9,11H2,1-4H3,(H,24,25);4-7,9,11H,8,10,12H2,1-3H3,(H,24,25);11H,6-10,12H2,1-5H3;9H,6-8,10H2,1-5H3;4-6,10H,3,7,14H2,1-2H3;1-4H,(H2,7,8);;1H2/q;;;;;;;;;;;+1;/p-1/t23-;25-;23-;;;;;;;10-;;;/m000......0.../s1
InChIKeySOAGSLCOXZHONZ-VOZUKWEXSA-M
MW4205.83 g/mol
LogP32.69
Rot. Bonds79

About lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide

lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide (PubChem CID 160889071) has the molecular formula C222H280F4LiN37O41 and a molecular weight of 4205.83 g/mol. Its IUPAC name is lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide.

Molecular Properties

Compound Namelithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide
PubChem CID160889071
Molecular FormulaC222H280F4LiN37O41
Molecular Weight4205.83 g/mol
Exact Mass4203.11
IUPAC Namelithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide
SMILESCC(C)(C)OCc1nn(CCc2ccc3cccnc3n2)cc1C(=O)O.CCOC(=O)C[C@H](CC(=O)c1cn(Cc2cc3cccnc3nc2C)nc1COC(C)(C)C)c1ccc(OC)c(F)c1.CCOC(=O)C[C@H](N)c1ccc(OC)c(F)c1.CCOC(=O)C[C@H](NC(=O)c1cn(CCc2ccc3cccnc3n2)nc1COC(C)(C)C)c1ccc(OC)c(F)c1.CCOC(=O)c1cn(CCC(C)=O)nc1COC(C)(C)C.CCOC(=O)c1cn(CCC2(C)OCCO2)nc1COC(C)(C)C.CCOC(=O)c1cn(CCc2ccc3cccnc3n2)nc1COC(C)(C)C.CCOC(=O)c1cn(Cc2cc3cccnc3nc2C)nc1COC(C)(C)C.COc1ccc([C@H](CC(=O)O)NC(=O)c2cn(CCc3ccc4c(n3)NCCC4)nc2COC(C)(C)C)cc1F.Cc1nc2ncccc2cc1Cn1cc(C(=O)O)c(COC(C)(C)C)n1.Nc1ncccc1C=O.[Li+].[OH-]
InChIInChI=1S/C32H37FN4O5.C31H36FN5O5.C29H36FN5O5.2C21H26N4O3.2C19H22N4O3.C17H28N2O5.C15H24N2O4.C12H16FNO3.C6H6N2O.Li.H2O/c1-7-41-30(39)16-23(21-10-11-29(40-6)26(33)14-21)15-28(38)25-18-37(36-27(25)19-42-32(3,4)5)17-24-13-22-9-8-12-34-31(22)35-20(24)2;1-6-41-28(38)17-25(21-10-12-27(40-5)24(32)16-21)35-30(39)23-18-37(36-26(23)19-42-31(2,3)4)15-13-22-11-9-20-8-7-14-33-29(20)34-22;1-29(2,3)40-17-24-21(16-35(34-24)13-11-20-9-7-18-6-5-12-31-27(18)32-20)28(38)33-23(15-26(36)37)19-8-10-25(39-4)22(30)14-19;1-6-27-20(26)17-12-25(24-18(17)13-28-21(3,4)5)11-16-10-15-8-7-9-22-19(15)23-14(16)2;1-5-27-20(26)17-13-25(24-18(17)14-28-21(2,3)4)12-10-16-9-8-15-7-6-11-22-19(15)23-16;1-12-14(8-13-6-5-7-20-17(13)21-12)9-23-10-15(18(24)25)16(22-23)11-26-19(2,3)4;1-19(2,3)26-12-16-15(18(24)25)11-23(22-16)10-8-14-7-6-13-5-4-9-20-17(13)21-14;1-6-21-15(20)13-11-19(8-7-17(5)22-9-10-23-17)18-14(13)12-24-16(2,3)4;1-6-20-14(19)12-9-17(8-7-11(2)18)16-13(12)10-21-15(3,4)5;1-3-17-12(15)7-10(14)8-4-5-11(16-2)9(13)6-8;7-6-5(4-9)2-1-3-8-6;;/h8-14,18,23H,7,15-17,19H2,1-6H3;7-12,14,16,18,25H,6,13,15,17,19H2,1-5H3,(H,35,39);7-10,14,16,23H,5-6,11-13,15,17H2,1-4H3,(H,31,32)(H,33,38)(H,36,37);7-10,12H,6,11,13H2,1-5H3;6-9,11,13H,5,10,12,14H2,1-4H3;5-8,10H,9,11H2,1-4H3,(H,24,25);4-7,9,11H,8,10,12H2,1-3H3,(H,24,25);11H,6-10,12H2,1-5H3;9H,6-8,10H2,1-5H3;4-6,10H,3,7,14H2,1-2H3;1-4H,(H2,7,8);;1H2/q;;;;;;;;;;;+1;/p-1/t23-;25-;23-;;;;;;;10-;;;/m000......0.../s1
InChIKeySOAGSLCOXZHONZ-VOZUKWEXSA-M
XLogP32.69
TPSA978.77 Ų
H-Bond Donors8
H-Bond Acceptors73
Rotatable Bonds79
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004205.83
LogP ≤ 532.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1073

Analyze lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide with MolForge

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What is the IUPAC name of lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide?
The IUPAC name of lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide (CID 160889071) is lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide.
What is the SMILES notation for lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide?
The canonical SMILES for lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide is CC(C)(C)OCc1nn(CCc2ccc3cccnc3n2)cc1C(=O)O.CCOC(=O)C[C@H](CC(=O)c1cn(Cc2cc3cccnc3nc2C)nc1COC(C)(C)C)c1ccc(OC)c(F)c1.CCOC(=O)C[C@H](N)c1ccc(OC)c(F)c1.CCOC(=O)C[C@H](NC(=O)c1cn(CCc2ccc3cccnc3n2)nc1COC(C)(C)C)c1ccc(OC)c(F)c1.CCOC(=O)c1cn(CCC(C)=O)nc1COC(C)(C)C.CCOC(=O)c1cn(CCC2(C)OCCO2)nc1COC(C)(C)C.CCOC(=O)c1cn(CCc2ccc3cccnc3n2)nc1COC(C)(C)C.CCOC(=O)c1cn(Cc2cc3cccnc3nc2C)nc1COC(C)(C)C.COc1ccc([C@H](CC(=O)O)NC(=O)c2cn(CCc3ccc4c(n3)NCCC4)nc2COC(C)(C)C)cc1F.Cc1nc2ncccc2cc1Cn1cc(C(=O)O)c(COC(C)(C)C)n1.Nc1ncccc1C=O.[Li+].[OH-].
What is the InChIKey of lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide?
The InChIKey is SOAGSLCOXZHONZ-VOZUKWEXSA-M. The full InChI is InChI=1S/C32H37FN4O5.C31H36FN5O5.C29H36FN5O5.2C21H26N4O3.2C19H22N4O3.C17H28N2O5.C15H24N2O4.C12H16FNO3.C6H6N2O.Li.H2O/c1-7-41-30(39)16-23(21-10-11-29(40-6)26(33)14-21)15-28(38)25-18-37(36-27(25)19-42-32(3,4)5)17-24-13-22-9-8-12-34-31(22)35-20(24)2;1-6-41-28(38)17-25(21-10-12-27(40-5)24(32)16-21)35-30(39)23-18-37(36-26(23)19-42-31(2,3)4)15-13-22-11-9-20-8-7-14-33-29(20)34-22;1-29(2,3)40-17-24-21(16-35(34-24)13-11-20-9-7-18-6-5-12-31-27(18)32-20)28(38)33-23(15-26(36)37)19-8-10-25(39-4)22(30)14-19;1-6-27-20(26)17-12-25(24-18(17)13-28-21(3,4)5)11-16-10-15-8-7-9-22-19(15)23-14(16)2;1-5-27-20(26)17-13-25(24-18(17)14-28-21(2,3)4)12-10-16-9-8-15-7-6-11-22-19(15)23-16;1-12-14(8-13-6-5-7-20-17(13)21-12)9-23-10-15(18(24)25)16(22-23)11-26-19(2,3)4;1-19(2,3)26-12-16-15(18(24)25)11-23(22-16)10-8-14-7-6-13-5-4-9-20-17(13)21-14;1-6-21-15(20)13-11-19(8-7-17(5)22-9-10-23-17)18-14(13)12-24-16(2,3)4;1-6-20-14(19)12-9-17(8-7-11(2)18)16-13(12)10-21-15(3,4)5;1-3-17-12(15)7-10(14)8-4-5-11(16-2)9(13)6-8;7-6-5(4-9)2-1-3-8-6;;/h8-14,18,23H,7,15-17,19H2,1-6H3;7-12,14,16,18,25H,6,13,15,17,19H2,1-5H3,(H,35,39);7-10,14,16,23H,5-6,11-13,15,17H2,1-4H3,(H,31,32)(H,33,38)(H,36,37);7-10,12H,6,11,13H2,1-5H3;6-9,11,13H,5,10,12,14H2,1-4H3;5-8,10H,9,11H2,1-4H3,(H,24,25);4-7,9,11H,8,10,12H2,1-3H3,(H,24,25);11H,6-10,12H2,1-5H3;9H,6-8,10H2,1-5H3;4-6,10H,3,7,14H2,1-2H3;1-4H,(H2,7,8);;1H2/q;;;;;;;;;;;+1;/p-1/t23-;25-;23-;;;;;;;10-;;;/m000......0.../s1.
What are the key properties of lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide?
lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide has a molecular weight of 4205.83 g/mol, XLogP of 32.69, 79 rotatable bonds, 8 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-aminopyridine-3-carbaldehyde;ethyl (3S)-3-amino-3-(3-fluoro-4-methoxyphenyl)propanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-5-[1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazol-4-yl]-5-oxopentanoate;ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;ethyl 1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylate;ethyl 3-[(2-methylpropan-2-yl)oxymethyl]-1-(3-oxobutyl)pyrazole-4-carboxylate;(3S)-3-(3-fluoro-4-methoxyphenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;1-[(2-methyl-1,8-naphthyridin-3-yl)methyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid;3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid;hydroxide is sourced from PubChem (CID 160889071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).