dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide

C134H147BBrF9Li2N27O29U- — CID 160976950

IUPACdilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide
SMILESCC(=O)c1cccc(-c2ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)n1.CC(=O)c1cccc(Br)n1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2cccc(C(=O)O)n2)ccn1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)Nc3cn(-c4ccc(C(=O)O)cc4)nc3C(N)=O)n2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)Nc3cn(-c4ccc(C(=O)OC)cc4)nc3C(N)=O)n2)ccn1.COC(=O)c1ccc(-n2cc(N)c(C(N)=O)n2)cc1.[CH3-].[Li+].[Li+].[OH-].[OH-].[U]
InChIInChI=1S/C30H31N7O6.C29H29N7O6.C19H20F3N3O3.C18H26BF3N2O4.C18H18F3N3O4.C12H12N4O3.C7H6BrNO.CH3.2Li.2H2O.U/c1-6-36(29(41)43-30(2,3)4)24-16-19(14-15-32-24)21-8-7-9-22(33-21)27(39)34-23-17-37(35-25(23)26(31)38)20-12-10-18(11-13-20)28(40)42-5;1-5-35(28(41)42-29(2,3)4)23-15-18(13-14-31-23)20-7-6-8-21(32-20)26(38)33-22-16-36(34-24(22)25(30)37)19-11-9-17(10-12-19)27(39)40;1-12(26)14-6-5-7-15(24-14)13-8-9-23-16(10-13)25(11-19(20,21)22)17(27)28-18(2,3)4;1-15(2,3)26-14(25)24(11-18(20,21)22)13-10-12(8-9-23-13)19-27-16(4,5)17(6,7)28-19;1-17(2,3)28-16(27)24(10-18(19,20)21)14-9-11(7-8-22-14)12-5-4-6-13(23-12)15(25)26;1-19-12(18)7-2-4-8(5-3-7)16-6-9(13)10(15-16)11(14)17;1-5(10)6-3-2-4-7(8)9-6;;;;;;/h7-17H,6H2,1-5H3,(H2,31,38)(H,34,39);6-16H,5H2,1-4H3,(H2,30,37)(H,33,38)(H,39,40);5-10H,11H2,1-4H3;8-10H,11H2,1-7H3;4-9H,10H2,1-3H3,(H,25,26);2-6H,13H2,1H3,(H2,14,17);2-4H,1H3;1H3;;;2*1H2;/q;;;;;;;-1;2*+1;;;/p-2
InChIKeyKGKRMJUFTZBGOA-UHFFFAOYSA-L
MW3113.42 g/mol
LogP17.34
Rot. Bonds31

About dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide

dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide (PubChem CID 160976950) has the molecular formula C134H147BBrF9Li2N27O29U- and a molecular weight of 3113.42 g/mol. Its IUPAC name is dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide.

Molecular Properties

Compound Namedilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide
PubChem CID160976950
Molecular FormulaC134H147BBrF9Li2N27O29U-
Molecular Weight3113.42 g/mol
Exact Mass3111.08
IUPAC Namedilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide
SMILESCC(=O)c1cccc(-c2ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)n1.CC(=O)c1cccc(Br)n1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2cccc(C(=O)O)n2)ccn1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)Nc3cn(-c4ccc(C(=O)O)cc4)nc3C(N)=O)n2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)Nc3cn(-c4ccc(C(=O)OC)cc4)nc3C(N)=O)n2)ccn1.COC(=O)c1ccc(-n2cc(N)c(C(N)=O)n2)cc1.[CH3-].[Li+].[Li+].[OH-].[OH-].[U]
InChIInChI=1S/C30H31N7O6.C29H29N7O6.C19H20F3N3O3.C18H26BF3N2O4.C18H18F3N3O4.C12H12N4O3.C7H6BrNO.CH3.2Li.2H2O.U/c1-6-36(29(41)43-30(2,3)4)24-16-19(14-15-32-24)21-8-7-9-22(33-21)27(39)34-23-17-37(35-25(23)26(31)38)20-12-10-18(11-13-20)28(40)42-5;1-5-35(28(41)42-29(2,3)4)23-15-18(13-14-31-23)20-7-6-8-21(32-20)26(38)33-22-16-36(34-24(22)25(30)37)19-11-9-17(10-12-19)27(39)40;1-12(26)14-6-5-7-15(24-14)13-8-9-23-16(10-13)25(11-19(20,21)22)17(27)28-18(2,3)4;1-15(2,3)26-14(25)24(11-18(20,21)22)13-10-12(8-9-23-13)19-27-16(4,5)17(6,7)28-19;1-17(2,3)28-16(27)24(10-18(19,20)21)14-9-11(7-8-22-14)12-5-4-6-13(23-12)15(25)26;1-19-12(18)7-2-4-8(5-3-7)16-6-9(13)10(15-16)11(14)17;1-5(10)6-3-2-4-7(8)9-6;;;;;;/h7-17H,6H2,1-5H3,(H2,31,38)(H,34,39);6-16H,5H2,1-4H3,(H2,30,37)(H,33,38)(H,39,40);5-10H,11H2,1-4H3;8-10H,11H2,1-7H3;4-9H,10H2,1-3H3,(H,25,26);2-6H,13H2,1H3,(H2,14,17);2-4H,1H3;1H3;;;2*1H2;/q;;;;;;;-1;2*+1;;;/p-2
InChIKeyKGKRMJUFTZBGOA-UHFFFAOYSA-L
XLogP17.34
TPSA783.35 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003113.42
LogP ≤ 517.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157809741
CID 157809741
azane;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)pyrazole-3-carboxylic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[5-ethoxycarbonyl-3-(2-methylpyrimidin-5-yl)pyrazol-1-yl]acetic acid;ethyl 1-[2-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-3-(2-methylpyrimidin-5-yl)pyrazole-4-carboxylate;ethyl 1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)pyrazole-3-carboxylate;dihydrochloride
CID 159044842
2-[3-acetyl-7-methoxycarbonyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;2-(6-bromo-2-pyridinyl)-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;methyl 3-acetyl-1-[2-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazole-7-carboxylate;methyl 3-acetyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazole-7-carboxylate
CID 159636835
CID 161584314
CID 161584314
CID 161963440
CID 161963440

Frequently Asked Questions

What is the IUPAC name of dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide?
The IUPAC name of dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide (CID 160976950) is dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide.
What is the SMILES notation for dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide?
The canonical SMILES for dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide is CC(=O)c1cccc(-c2ccnc(N(CC(F)(F)F)C(=O)OC(C)(C)C)c2)n1.CC(=O)c1cccc(Br)n1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(-c2cccc(C(=O)O)n2)ccn1.CC(C)(C)OC(=O)N(CC(F)(F)F)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)Nc3cn(-c4ccc(C(=O)O)cc4)nc3C(N)=O)n2)ccn1.CCN(C(=O)OC(C)(C)C)c1cc(-c2cccc(C(=O)Nc3cn(-c4ccc(C(=O)OC)cc4)nc3C(N)=O)n2)ccn1.COC(=O)c1ccc(-n2cc(N)c(C(N)=O)n2)cc1.[CH3-].[Li+].[Li+].[OH-].[OH-].[U].
What is the InChIKey of dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide?
The InChIKey is KGKRMJUFTZBGOA-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H31N7O6.C29H29N7O6.C19H20F3N3O3.C18H26BF3N2O4.C18H18F3N3O4.C12H12N4O3.C7H6BrNO.CH3.2Li.2H2O.U/c1-6-36(29(41)43-30(2,3)4)24-16-19(14-15-32-24)21-8-7-9-22(33-21)27(39)34-23-17-37(35-25(23)26(31)38)20-12-10-18(11-13-20)28(40)42-5;1-5-35(28(41)42-29(2,3)4)23-15-18(13-14-31-23)20-7-6-8-21(32-20)26(38)33-22-16-36(34-24(22)25(30)37)19-11-9-17(10-12-19)27(39)40;1-12(26)14-6-5-7-15(24-14)13-8-9-23-16(10-13)25(11-19(20,21)22)17(27)28-18(2,3)4;1-15(2,3)26-14(25)24(11-18(20,21)22)13-10-12(8-9-23-13)19-27-16(4,5)17(6,7)28-19;1-17(2,3)28-16(27)24(10-18(19,20)21)14-9-11(7-8-22-14)12-5-4-6-13(23-12)15(25)26;1-19-12(18)7-2-4-8(5-3-7)16-6-9(13)10(15-16)11(14)17;1-5(10)6-3-2-4-7(8)9-6;;;;;;/h7-17H,6H2,1-5H3,(H2,31,38)(H,34,39);6-16H,5H2,1-4H3,(H2,30,37)(H,33,38)(H,39,40);5-10H,11H2,1-4H3;8-10H,11H2,1-7H3;4-9H,10H2,1-3H3,(H,25,26);2-6H,13H2,1H3,(H2,14,17);2-4H,1H3;1H3;;;2*1H2;/q;;;;;;;-1;2*+1;;;/p-2.
What are the key properties of dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide?
dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide has a molecular weight of 3113.42 g/mol, XLogP of 17.34, 31 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-(6-bromo-2-pyridinyl)ethanone;tert-butyl N-[4-(6-acetyl-2-pyridinyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate;4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoic acid;carbanide;methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)benzoate;methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate;6-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]-4-pyridinyl]pyridine-2-carboxylic acid;uranium;dihydroxide is sourced from PubChem (CID 160976950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).