lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide

C148H146BClF3LiN22O27 — CID 159728378

IUPAClithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide
SMILESC.C=CC(=O)Cl.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)O)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(N2C(=O)Cc3cnccc32)c1.CCO.COC(=O)c1ccc(-n2c(=O)n(-c3cccc(NC(=O)OC(C)(C)C)c3)c3ccncc32)cc1.COC(=O)c1ccc(B(O)O)cc1.NCc1ccc(F)cc1.[Li+].[OH-]
InChIInChI=1S/C31H28FN5O4.C29H22FN5O3.C25H24N4O5.C24H22N4O5.C18H19N3O3.C8H9BO4.C7H8FN.C3H3ClO.C2H6O.CH4.Li.H2O/c1-31(2,3)41-29(39)35-23-5-4-6-25(17-23)37-26-15-16-33-19-27(26)36(30(37)40)24-13-9-21(10-14-24)28(38)34-18-20-7-11-22(32)12-8-20;1-2-27(36)33-22-4-3-5-24(16-22)35-25-14-15-31-18-26(25)34(29(35)38)23-12-8-20(9-13-23)28(37)32-17-19-6-10-21(30)11-7-19;1-25(2,3)34-23(31)27-17-6-5-7-19(14-17)29-20-12-13-26-15-21(20)28(24(29)32)18-10-8-16(9-11-18)22(30)33-4;1-24(2,3)33-22(31)26-16-5-4-6-18(13-16)28-19-11-12-25-14-20(19)27(23(28)32)17-9-7-15(8-10-17)21(29)30;1-18(2,3)24-17(23)20-13-5-4-6-14(10-13)21-15-7-8-19-11-12(15)9-16(21)22;1-13-8(10)6-2-4-7(5-3-6)9(11)12;8-7-3-1-6(5-9)2-4-7;1-2-3(4)5;1-2-3;;;/h4-17,19H,18H2,1-3H3,(H,34,38)(H,35,39);2-16,18H,1,17H2,(H,32,37)(H,33,36);5-15H,1-4H3,(H,27,31);4-14H,1-3H3,(H,26,31)(H,29,30);4-8,10-11H,9H2,1-3H3,(H,20,23);2-5,11-12H,1H3;1-4H,5,9H2;2H,1H2;3H,2H2,1H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1
InChIKeyNAXNUIKHDFJJED-UHFFFAOYSA-M
MW2775.12 g/mol
LogP20.98
Rot. Bonds27

About lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide

lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide (PubChem CID 159728378) has the molecular formula C148H146BClF3LiN22O27 and a molecular weight of 2775.12 g/mol. Its IUPAC name is lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide.

Molecular Properties

Compound Namelithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide
PubChem CID159728378
Molecular FormulaC148H146BClF3LiN22O27
Molecular Weight2775.12 g/mol
Exact Mass2773.06
IUPAC Namelithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide
SMILESC.C=CC(=O)Cl.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)O)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(N2C(=O)Cc3cnccc32)c1.CCO.COC(=O)c1ccc(-n2c(=O)n(-c3cccc(NC(=O)OC(C)(C)C)c3)c3ccncc32)cc1.COC(=O)c1ccc(B(O)O)cc1.NCc1ccc(F)cc1.[Li+].[OH-]
InChIInChI=1S/C31H28FN5O4.C29H22FN5O3.C25H24N4O5.C24H22N4O5.C18H19N3O3.C8H9BO4.C7H8FN.C3H3ClO.C2H6O.CH4.Li.H2O/c1-31(2,3)41-29(39)35-23-5-4-6-25(17-23)37-26-15-16-33-19-27(26)36(30(37)40)24-13-9-21(10-14-24)28(38)34-18-20-7-11-22(32)12-8-20;1-2-27(36)33-22-4-3-5-24(16-22)35-25-14-15-31-18-26(25)34(29(35)38)23-12-8-20(9-13-23)28(37)32-17-19-6-10-21(30)11-7-19;1-25(2,3)34-23(31)27-17-6-5-7-19(14-17)29-20-12-13-26-15-21(20)28(24(29)32)18-10-8-16(9-11-18)22(30)33-4;1-24(2,3)33-22(31)26-16-5-4-6-18(13-16)28-19-11-12-25-14-20(19)27(23(28)32)17-9-7-15(8-10-17)21(29)30;1-18(2,3)24-17(23)20-13-5-4-6-14(10-13)21-15-7-8-19-11-12(15)9-16(21)22;1-13-8(10)6-2-4-7(5-3-6)9(11)12;8-7-3-1-6(5-9)2-4-7;1-2-3(4)5;1-2-3;;;/h4-17,19H,18H2,1-3H3,(H,34,38)(H,35,39);2-16,18H,1,17H2,(H,32,37)(H,33,36);5-15H,1-4H3,(H,27,31);4-14H,1-3H3,(H,26,31)(H,29,30);4-8,10-11H,9H2,1-3H3,(H,20,23);2-5,11-12H,1H3;1-4H,5,9H2;2H,1H2;3H,2H2,1H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1
InChIKeyNAXNUIKHDFJJED-UHFFFAOYSA-M
XLogP20.98
TPSA656.78 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002775.12
LogP ≤ 520.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide with MolForge

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Related Compounds

acetonitrile;N-[(3S)-1-[4-[(2-aminophenyl)carbamoyl]phenyl]pyrrolidin-3-yl]pyridine-3-carboxamide;tert-butyl 4-[(3S)-3-aminopyrrolidin-1-yl]benzoate;tert-butyl 4-fluorobenzoate;tert-butyl 4-[(3S)-3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoate;4-[(3S)-3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid;pyridine-3-carbonyl chloride;(3S)-pyrrolidin-3-amine
CID 157292050
potassium;methanol;methyl 4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate;4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoic acid;4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile;4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoyl chloride;thionyl dichloride;hydroxide
CID 159618195
lithium;(4S)-3-(4-aminocyclohexyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-[4-(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one;3-[[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]amino]pyridine-4-carboxylic acid;methyl 3-[[4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]cyclohexyl]amino]pyridine-4-carboxylate;methyl 3-fluoropyridine-4-carboxylate;hydroxide
CID 161985761

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide?
The IUPAC name of lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide (CID 159728378) is lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide.
What is the SMILES notation for lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide?
The canonical SMILES for lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide is C.C=CC(=O)Cl.C=CC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(-n2c(=O)n(-c3ccc(C(=O)O)cc3)c3cnccc32)c1.CC(C)(C)OC(=O)Nc1cccc(N2C(=O)Cc3cnccc32)c1.CCO.COC(=O)c1ccc(-n2c(=O)n(-c3cccc(NC(=O)OC(C)(C)C)c3)c3ccncc32)cc1.COC(=O)c1ccc(B(O)O)cc1.NCc1ccc(F)cc1.[Li+].[OH-].
What is the InChIKey of lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide?
The InChIKey is NAXNUIKHDFJJED-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H28FN5O4.C29H22FN5O3.C25H24N4O5.C24H22N4O5.C18H19N3O3.C8H9BO4.C7H8FN.C3H3ClO.C2H6O.CH4.Li.H2O/c1-31(2,3)41-29(39)35-23-5-4-6-25(17-23)37-26-15-16-33-19-27(26)36(30(37)40)24-13-9-21(10-14-24)28(38)34-18-20-7-11-22(32)12-8-20;1-2-27(36)33-22-4-3-5-24(16-22)35-25-14-15-31-18-26(25)34(29(35)38)23-12-8-20(9-13-23)28(37)32-17-19-6-10-21(30)11-7-19;1-25(2,3)34-23(31)27-17-6-5-7-19(14-17)29-20-12-13-26-15-21(20)28(24(29)32)18-10-8-16(9-11-18)22(30)33-4;1-24(2,3)33-22(31)26-16-5-4-6-18(13-16)28-19-11-12-25-14-20(19)27(23(28)32)17-9-7-15(8-10-17)21(29)30;1-18(2,3)24-17(23)20-13-5-4-6-14(10-13)21-15-7-8-19-11-12(15)9-16(21)22;1-13-8(10)6-2-4-7(5-3-6)9(11)12;8-7-3-1-6(5-9)2-4-7;1-2-3(4)5;1-2-3;;;/h4-17,19H,18H2,1-3H3,(H,34,38)(H,35,39);2-16,18H,1,17H2,(H,32,37)(H,33,36);5-15H,1-4H3,(H,27,31);4-14H,1-3H3,(H,26,31)(H,29,30);4-8,10-11H,9H2,1-3H3,(H,20,23);2-5,11-12H,1H3;1-4H,5,9H2;2H,1H2;3H,2H2,1H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1.
What are the key properties of lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide?
lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide has a molecular weight of 2775.12 g/mol, XLogP of 20.98, 27 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tert-butyl N-[3-[3-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]phenyl]carbamate;tert-butyl N-[3-(2-oxo-3H-pyrrolo[3,2-c]pyridin-1-yl)phenyl]carbamate;ethanol;(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-4-[2-oxo-1-[3-(prop-2-enoylamino)phenyl]imidazo[4,5-c]pyridin-3-yl]benzamide;methane;(4-methoxycarbonylphenyl)boronic acid;methyl 4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoate;4-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoimidazo[4,5-c]pyridin-3-yl]benzoic acid;prop-2-enoyl chloride;hydroxide is sourced from PubChem (CID 159728378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).