disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate

C110H125F8N14Na2O40- — CID 159354782

IUPACdisodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
SMILESCC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.CC(C)(C)OC(=O)N1CC(=O)N(Cc2ccc(F)cc2)C(=O)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C(=O)C1.CC(C)OC(=O)c1ncccc1C(=O)O.C[O-].NCc1ccc(F)cc1.O=C(O)CNCC(=O)O.O=C([O-])C(F)(F)F.O=C1CNCC(=O)N1Cc1ccc(F)cc1.O=C1Cn2c(c(O)c3ncccc3c2=O)C(=O)N1Cc1ccc(F)cc1.O=CO[O-].[Na+].[Na+]
InChIInChI=1S/C21H20FN3O5.C18H12FN3O4.C16H19FN2O4.C11H11FN2O2.C10H11NO4.C10H18O5.C9H15NO6.C7H8FN.C4H7NO4.C2HF3O2.CH2O3.CH3O.2Na/c1-13(2)30-21(29)19-16(4-3-9-23-19)20(28)24-11-17(26)25(18(27)12-24)10-14-5-7-15(22)8-6-14;19-11-5-3-10(4-6-11)8-21-13(23)9-22-15(18(21)26)16(24)14-12(17(22)25)2-1-7-20-14;1-16(2,3)23-15(22)18-9-13(20)19(14(21)10-18)8-11-4-6-12(17)7-5-11;12-9-3-1-8(2-4-9)7-14-10(15)5-13-6-11(14)16;1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14;8-7-3-1-6(5-9)2-4-7;6-3(7)1-5-2-4(8)9;3-2(4,5)1(6)7;2-1-4-3;1-2;;/h3-9,13H,10-12H2,1-2H3;1-7,24H,8-9H2;4-7H,8-10H2,1-3H3;1-4,13H,5-7H2;3-6H,1-2H3,(H,12,13);1-6H3;4-5H2,1-3H3,(H,11,12)(H,13,14);1-4H,5,9H2;5H,1-2H2,(H,6,7)(H,8,9);(H,6,7);1,3H;1H3;;/q;;;;;;;;;;;-1;2*+1/p-2
InChIKeyPCELUMHNMKDTGC-UHFFFAOYSA-L
MW2481.23 g/mol
LogP0.79
Rot. Bonds24

About disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate

disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate (PubChem CID 159354782) has the molecular formula C110H125F8N14Na2O40- and a molecular weight of 2481.23 g/mol. Its IUPAC name is disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namedisodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
PubChem CID159354782
Molecular FormulaC110H125F8N14Na2O40-
Molecular Weight2481.23 g/mol
Exact Mass2479.79
IUPAC Namedisodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
SMILESCC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.CC(C)(C)OC(=O)N1CC(=O)N(Cc2ccc(F)cc2)C(=O)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C(=O)C1.CC(C)OC(=O)c1ncccc1C(=O)O.C[O-].NCc1ccc(F)cc1.O=C(O)CNCC(=O)O.O=C([O-])C(F)(F)F.O=C1CNCC(=O)N1Cc1ccc(F)cc1.O=C1Cn2c(c(O)c3ncccc3c2=O)C(=O)N1Cc1ccc(F)cc1.O=CO[O-].[Na+].[Na+]
InChIInChI=1S/C21H20FN3O5.C18H12FN3O4.C16H19FN2O4.C11H11FN2O2.C10H11NO4.C10H18O5.C9H15NO6.C7H8FN.C4H7NO4.C2HF3O2.CH2O3.CH3O.2Na/c1-13(2)30-21(29)19-16(4-3-9-23-19)20(28)24-11-17(26)25(18(27)12-24)10-14-5-7-15(22)8-6-14;19-11-5-3-10(4-6-11)8-21-13(23)9-22-15(18(21)26)16(24)14-12(17(22)25)2-1-7-20-14;1-16(2,3)23-15(22)18-9-13(20)19(14(21)10-18)8-11-4-6-12(17)7-5-11;12-9-3-1-8(2-4-9)7-14-10(15)5-13-6-11(14)16;1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14;8-7-3-1-6(5-9)2-4-7;6-3(7)1-5-2-4(8)9;3-2(4,5)1(6)7;2-1-4-3;1-2;;/h3-9,13H,10-12H2,1-2H3;1-7,24H,8-9H2;4-7H,8-10H2,1-3H3;1-4,13H,5-7H2;3-6H,1-2H3,(H,12,13);1-6H3;4-5H2,1-3H3,(H,11,12)(H,13,14);1-4H,5,9H2;5H,1-2H2,(H,6,7)(H,8,9);(H,6,7);1,3H;1H3;;/q;;;;;;;;;;;-1;2*+1/p-2
InChIKeyPCELUMHNMKDTGC-UHFFFAOYSA-L
XLogP0.79
TPSA773.37 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002481.23
LogP ≤ 50.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate with MolForge

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Related Compounds

Sodium;1-(bromomethyl)-4-methylbenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-2-one;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 157756898
Sodium;1-(bromomethyl)-4-methylbenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-4-ium-2-one;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 157756899
disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methane;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 159230285
disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazin-4-ium-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 159354783
Sodium;1-(bromomethyl)-4-fluorobenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-2-one;methane;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 161471206
Sodium;1-(bromomethyl)-4-fluorobenzene;tert-butyl 4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;9-[(4-fluorophenyl)methyl]-11-hydroxy-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione;1-[(4-fluorophenyl)methyl]piperazin-2-one;methanolate;piperazin-2-one;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate
CID 161486227
Sodium;bis(3-[(4-fluorophenyl)methyl]-11-hydroxy-9-methyl-7,8-dihydropyrazino[1,2-g][1,6]naphthyridine-5,10-dione);methanolate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-(4-methyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylate
CID 160394355

Frequently Asked Questions

What is the IUPAC name of disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate?
The IUPAC name of disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate (CID 159354782) is disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate.
What is the SMILES notation for disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate?
The canonical SMILES for disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate is CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)O.CC(C)(C)OC(=O)N1CC(=O)N(Cc2ccc(F)cc2)C(=O)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)OC(=O)c1ncccc1C(=O)N1CC(=O)N(Cc2ccc(F)cc2)C(=O)C1.CC(C)OC(=O)c1ncccc1C(=O)O.C[O-].NCc1ccc(F)cc1.O=C(O)CNCC(=O)O.O=C([O-])C(F)(F)F.O=C1CNCC(=O)N1Cc1ccc(F)cc1.O=C1Cn2c(c(O)c3ncccc3c2=O)C(=O)N1Cc1ccc(F)cc1.O=CO[O-].[Na+].[Na+].
What is the InChIKey of disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate?
The InChIKey is PCELUMHNMKDTGC-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H20FN3O5.C18H12FN3O4.C16H19FN2O4.C11H11FN2O2.C10H11NO4.C10H18O5.C9H15NO6.C7H8FN.C4H7NO4.C2HF3O2.CH2O3.CH3O.2Na/c1-13(2)30-21(29)19-16(4-3-9-23-19)20(28)24-11-17(26)25(18(27)12-24)10-14-5-7-15(22)8-6-14;19-11-5-3-10(4-6-11)8-21-13(23)9-22-15(18(21)26)16(24)14-12(17(22)25)2-1-7-20-14;1-16(2,3)23-15(22)18-9-13(20)19(14(21)10-18)8-11-4-6-12(17)7-5-11;12-9-3-1-8(2-4-9)7-14-10(15)5-13-6-11(14)16;1-6(2)15-10(14)8-7(9(12)13)4-3-5-11-8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-9(2,3)16-8(15)10(4-6(11)12)5-7(13)14;8-7-3-1-6(5-9)2-4-7;6-3(7)1-5-2-4(8)9;3-2(4,5)1(6)7;2-1-4-3;1-2;;/h3-9,13H,10-12H2,1-2H3;1-7,24H,8-9H2;4-7H,8-10H2,1-3H3;1-4,13H,5-7H2;3-6H,1-2H3,(H,12,13);1-6H3;4-5H2,1-3H3,(H,11,12)(H,13,14);1-4H,5,9H2;5H,1-2H2,(H,6,7)(H,8,9);(H,6,7);1,3H;1H3;;/q;;;;;;;;;;;-1;2*+1/p-2.
What are the key properties of disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate?
disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate has a molecular weight of 2481.23 g/mol, XLogP of 0.79, 24 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;tert-butyl 4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(carboxymethylamino)acetic acid;2-[carboxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid;(4-fluorophenyl)methanamine;9-[(4-fluorophenyl)methyl]-11-hydroxy-7H-pyrazino[1,2-g][1,6]naphthyridine-5,8,10-trione;1-[(4-fluorophenyl)methyl]piperazine-2,6-dione;methanolate;oxido formate;propan-2-yl 3-[4-[(4-fluorophenyl)methyl]-3,5-dioxopiperazine-1-carbonyl]pyridine-2-carboxylate;2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;2,2,2-trifluoroacetate is sourced from PubChem (CID 159354782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).