lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride

C105H114Cl2F14LiN19O23S4 — CID 159074675

IUPAClithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride
SMILESCO.COC(=O)C(=O)c1c(C)c(C(=O)OC(C)(C)C)c2n1CCC2.Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)O)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)O)CCC2.Cl.FC1(F)CC(NCl)(c2nncs2)C1.Nc1cc(F)c(F)c(F)c1.[Li+].[OH-]
InChIInChI=1S/C23H18F5N5O3S.C21H24F2N4O4S.C17H16F2N4O4S.C16H21NO5.C15H19NO5.C6H6ClF2N3S.C6H4F3N.CH4O.ClH.Li.H2O/c1-10-15(19(35)30-11-5-12(24)16(26)13(25)6-11)14-3-2-4-33(14)17(10)18(34)20(36)31-22(7-23(27,28)8-22)21-32-29-9-37-21;1-11-13(17(30)31-19(2,3)4)12-6-5-7-27(12)14(11)15(28)16(29)25-20(8-21(22,23)9-20)18-26-24-10-32-18;1-8-10(14(26)27)9-3-2-4-23(9)11(8)12(24)13(25)21-16(5-17(18,19)6-16)15-22-20-7-28-15;1-9-11(14(19)22-16(2,3)4)10-7-6-8-17(10)12(9)13(18)15(20)21-5;1-8-10(14(20)21-15(2,3)4)9-6-5-7-16(9)11(8)12(17)13(18)19;7-12-5(1-6(8,9)2-5)4-11-10-3-13-4;7-4-1-3(10)2-5(8)6(4)9;1-2;;;/h5-6,9H,2-4,7-8H2,1H3,(H,30,35)(H,31,36);10H,5-9H2,1-4H3,(H,25,29);7H,2-6H2,1H3,(H,21,25)(H,26,27);6-8H2,1-5H3;5-7H2,1-4H3,(H,18,19);3,12H,1-2H2;1-2H,10H2;2H,1H3;1H;;1H2/q;;;;;;;;;+1;/p-1
InChIKeyFIIDSILCGACDOS-UHFFFAOYSA-M
MW2482.26 g/mol
LogP13.44
Rot. Bonds24

About lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride

lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride (PubChem CID 159074675) has the molecular formula C105H114Cl2F14LiN19O23S4 and a molecular weight of 2482.26 g/mol. Its IUPAC name is lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride
PubChem CID159074675
Molecular FormulaC105H114Cl2F14LiN19O23S4
Molecular Weight2482.26 g/mol
Exact Mass2479.65
IUPAC Namelithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride
SMILESCO.COC(=O)C(=O)c1c(C)c(C(=O)OC(C)(C)C)c2n1CCC2.Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)O)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)O)CCC2.Cl.FC1(F)CC(NCl)(c2nncs2)C1.Nc1cc(F)c(F)c(F)c1.[Li+].[OH-]
InChIInChI=1S/C23H18F5N5O3S.C21H24F2N4O4S.C17H16F2N4O4S.C16H21NO5.C15H19NO5.C6H6ClF2N3S.C6H4F3N.CH4O.ClH.Li.H2O/c1-10-15(19(35)30-11-5-12(24)16(26)13(25)6-11)14-3-2-4-33(14)17(10)18(34)20(36)31-22(7-23(27,28)8-22)21-32-29-9-37-21;1-11-13(17(30)31-19(2,3)4)12-6-5-7-27(12)14(11)15(28)16(29)25-20(8-21(22,23)9-20)18-26-24-10-32-18;1-8-10(14(26)27)9-3-2-4-23(9)11(8)12(24)13(25)21-16(5-17(18,19)6-16)15-22-20-7-28-15;1-9-11(14(19)22-16(2,3)4)10-7-6-8-17(10)12(9)13(18)15(20)21-5;1-8-10(14(20)21-15(2,3)4)9-6-5-7-16(9)11(8)12(17)13(18)19;7-12-5(1-6(8,9)2-5)4-11-10-3-13-4;7-4-1-3(10)2-5(8)6(4)9;1-2;;;/h5-6,9H,2-4,7-8H2,1H3,(H,30,35)(H,31,36);10H,5-9H2,1-4H3,(H,25,29);7H,2-6H2,1H3,(H,21,25)(H,26,27);6-8H2,1-5H3;5-7H2,1-4H3,(H,18,19);3,12H,1-2H2;1-2H,10H2;2H,1H3;1H;;1H2/q;;;;;;;;;+1;/p-1
InChIKeyFIIDSILCGACDOS-UHFFFAOYSA-M
XLogP13.44
TPSA597.60 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms168
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002482.26
LogP ≤ 513.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride?
The IUPAC name of lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride (CID 159074675) is lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride.
What is the SMILES notation for lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride?
The canonical SMILES for lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride is CO.COC(=O)C(=O)c1c(C)c(C(=O)OC(C)(C)C)c2n1CCC2.Cc1c(C(=O)Nc2cc(F)c(F)c(F)c2)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)O)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)NC1(c3nncs3)CC(F)(F)C1)CCC2.Cc1c(C(=O)OC(C)(C)C)c2n(c1C(=O)C(=O)O)CCC2.Cl.FC1(F)CC(NCl)(c2nncs2)C1.Nc1cc(F)c(F)c(F)c1.[Li+].[OH-].
What is the InChIKey of lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride?
The InChIKey is FIIDSILCGACDOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18F5N5O3S.C21H24F2N4O4S.C17H16F2N4O4S.C16H21NO5.C15H19NO5.C6H6ClF2N3S.C6H4F3N.CH4O.ClH.Li.H2O/c1-10-15(19(35)30-11-5-12(24)16(26)13(25)6-11)14-3-2-4-33(14)17(10)18(34)20(36)31-22(7-23(27,28)8-22)21-32-29-9-37-21;1-11-13(17(30)31-19(2,3)4)12-6-5-7-27(12)14(11)15(28)16(29)25-20(8-21(22,23)9-20)18-26-24-10-32-18;1-8-10(14(26)27)9-3-2-4-23(9)11(8)12(24)13(25)21-16(5-17(18,19)6-16)15-22-20-7-28-15;1-9-11(14(19)22-16(2,3)4)10-7-6-8-17(10)12(9)13(18)15(20)21-5;1-8-10(14(20)21-15(2,3)4)9-6-5-7-16(9)11(8)12(17)13(18)19;7-12-5(1-6(8,9)2-5)4-11-10-3-13-4;7-4-1-3(10)2-5(8)6(4)9;1-2;;;/h5-6,9H,2-4,7-8H2,1H3,(H,30,35)(H,31,36);10H,5-9H2,1-4H3,(H,25,29);7H,2-6H2,1H3,(H,21,25)(H,26,27);6-8H2,1-5H3;5-7H2,1-4H3,(H,18,19);3,12H,1-2H2;1-2H,10H2;2H,1H3;1H;;1H2/q;;;;;;;;;+1;/p-1.
What are the key properties of lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride?
lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride has a molecular weight of 2482.26 g/mol, XLogP of 13.44, 24 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl 3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;tert-butyl 3-(2-methoxy-2-oxoacetyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate;N-chloro-3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutan-1-amine;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylic acid;3-[2-[[3,3-difluoro-1-(1,3,4-thiadiazol-2-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;methanol;2-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetic acid;3,4,5-trifluoroaniline;hydroxide;hydrochloride is sourced from PubChem (CID 159074675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).