lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride

C109H94BCl2F16LiN20O18 — CID 160834223

IUPAClithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride
SMILESCCOC(=O)C(C(C)=O)c1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.CCOC(=O)C(C(C)=O)c1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(Cl)n1.CCOC(=O)Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.OCc1ccccc1B(O)O.[Cl-].[Li+]
InChIInChI=1S/C29H25F4N5O5.C27H23F4N5O4.C24H19F4N5O2.C22H18ClF4N5O4.C7H9BO3.ClH.Li/c1-4-43-28(42)24(15(2)40)26-34-13-23(25(36-26)17-8-6-5-7-16(17)14-39)35-27(41)19-11-18(22-9-10-38(3)37-22)20(12-21(19)30)29(31,32)33;1-3-40-24(38)12-23-32-13-22(25(34-23)16-7-5-4-6-15(16)14-37)33-26(39)18-10-17(21-8-9-36(2)35-21)19(11-20(18)28)27(29,30)31;1-13-29-11-21(22(30-13)15-6-4-3-5-14(15)12-34)31-23(35)17-9-16(20-7-8-33(2)32-20)18(10-19(17)25)24(26,27)28;1-4-36-21(35)17(10(2)33)19-28-9-16(18(23)30-19)29-20(34)12-7-11(15-5-6-32(3)31-15)13(8-14(12)24)22(25,26)27;9-5-6-3-1-2-4-7(6)8(10)11;;/h5-13,24,39H,4,14H2,1-3H3,(H,35,41);4-11,13,37H,3,12,14H2,1-2H3,(H,33,39);3-11,34H,12H2,1-2H3,(H,31,35);5-9,17H,4H2,1-3H3,(H,29,34);1-4,9-11H,5H2;1H;/q;;;;;;+1/p-1
InChIKeySHEVVKPHIQWEPB-UHFFFAOYSA-M
MW2364.70 g/mol
LogP11.03
Rot. Bonds31

About lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride

lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride (PubChem CID 160834223) has the molecular formula C109H94BCl2F16LiN20O18 and a molecular weight of 2364.70 g/mol. Its IUPAC name is lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride.

Molecular Properties

Compound Namelithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride
PubChem CID160834223
Molecular FormulaC109H94BCl2F16LiN20O18
Molecular Weight2364.70 g/mol
Exact Mass2362.64
IUPAC Namelithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride
SMILESCCOC(=O)C(C(C)=O)c1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.CCOC(=O)C(C(C)=O)c1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(Cl)n1.CCOC(=O)Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.OCc1ccccc1B(O)O.[Cl-].[Li+]
InChIInChI=1S/C29H25F4N5O5.C27H23F4N5O4.C24H19F4N5O2.C22H18ClF4N5O4.C7H9BO3.ClH.Li/c1-4-43-28(42)24(15(2)40)26-34-13-23(25(36-26)17-8-6-5-7-16(17)14-39)35-27(41)19-11-18(22-9-10-38(3)37-22)20(12-21(19)30)29(31,32)33;1-3-40-24(38)12-23-32-13-22(25(34-23)16-7-5-4-6-15(16)14-37)33-26(39)18-10-17(21-8-9-36(2)35-21)19(11-20(18)28)27(29,30)31;1-13-29-11-21(22(30-13)15-6-4-3-5-14(15)12-34)31-23(35)17-9-16(20-7-8-33(2)32-20)18(10-19(17)25)24(26,27)28;1-4-36-21(35)17(10(2)33)19-28-9-16(18(23)30-19)29-20(34)12-7-11(15-5-6-32(3)31-15)13(8-14(12)24)22(25,26)27;9-5-6-3-1-2-4-7(6)8(10)11;;/h5-13,24,39H,4,14H2,1-3H3,(H,35,41);4-11,13,37H,3,12,14H2,1-2H3,(H,33,39);3-11,34H,12H2,1-2H3,(H,31,35);5-9,17H,4H2,1-3H3,(H,29,34);1-4,9-11H,5H2;1H;/q;;;;;;+1/p-1
InChIKeySHEVVKPHIQWEPB-UHFFFAOYSA-M
XLogP11.03
TPSA525.22 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.70
LogP ≤ 511.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride with MolForge

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Related Compounds

Ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate
CID 129065000
N-[2-(aminomethyl)-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-(azidomethyl)-4-phenylpyrimidin-5-amine;N-[2-(azidomethyl)-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;(2S)-2-hydroxypropanoic acid;phosphoryl trichloride;triphenyl(thiophosphoroso)phosphanium
CID 157976765
sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide
CID 158225961
sodium;tert-butyl N-(2,4-dichloropyrimidin-5-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2,4-dichloropyrimidin-5-amine;ethyl 2-(5-amino-4-chloropyrimidin-2-yl)-3-oxobutanoate;ethyl 2-[5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-chloropyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 3-oxobutanoate;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;hydride;hydrochloride
CID 159364791

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride?
The IUPAC name of lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride (CID 160834223) is lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride.
What is the SMILES notation for lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride?
The canonical SMILES for lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride is CCOC(=O)C(C(C)=O)c1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.CCOC(=O)C(C(C)=O)c1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(Cl)n1.CCOC(=O)Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.Cc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2CO)n1.OCc1ccccc1B(O)O.[Cl-].[Li+].
What is the InChIKey of lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride?
The InChIKey is SHEVVKPHIQWEPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H25F4N5O5.C27H23F4N5O4.C24H19F4N5O2.C22H18ClF4N5O4.C7H9BO3.ClH.Li/c1-4-43-28(42)24(15(2)40)26-34-13-23(25(36-26)17-8-6-5-7-16(17)14-39)35-27(41)19-11-18(22-9-10-38(3)37-22)20(12-21(19)30)29(31,32)33;1-3-40-24(38)12-23-32-13-22(25(34-23)16-7-5-4-6-15(16)14-37)33-26(39)18-10-17(21-8-9-36(2)35-21)19(11-20(18)28)27(29,30)31;1-13-29-11-21(22(30-13)15-6-4-3-5-14(15)12-34)31-23(35)17-9-16(20-7-8-33(2)32-20)18(10-19(17)25)24(26,27)28;1-4-36-21(35)17(10(2)33)19-28-9-16(18(23)30-19)29-20(34)12-7-11(15-5-6-32(3)31-15)13(8-14(12)24)22(25,26)27;9-5-6-3-1-2-4-7(6)8(10)11;;/h5-13,24,39H,4,14H2,1-3H3,(H,35,41);4-11,13,37H,3,12,14H2,1-2H3,(H,33,39);3-11,34H,12H2,1-2H3,(H,31,35);5-9,17H,4H2,1-3H3,(H,29,34);1-4,9-11H,5H2;1H;/q;;;;;;+1/p-1.
What are the key properties of lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride?
lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride has a molecular weight of 2364.70 g/mol, XLogP of 11.03, 31 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl 2-[4-chloro-5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]pyrimidin-2-yl]-3-oxobutanoate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]acetate;ethyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-[2-(hydroxymethyl)phenyl]pyrimidin-2-yl]-3-oxobutanoate;2-fluoro-N-[4-[2-(hydroxymethyl)phenyl]-2-methylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;[2-(hydroxymethyl)phenyl]boronic acid;chloride is sourced from PubChem (CID 160834223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).