lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide

C171H154Cl6LiN45O14S — CID 159200335

IUPAClithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide
SMILESC.C1CCOC1.CCOC(=O)c1cnc2c(c(C)nn2Cc2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.CS(=O)(=O)OCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3nn[nH]n3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2Cl)cc1.Cc1nn(Cc2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncc(C(=O)O)c(Cl)c12.OCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.[H]/N=N/N=NCl.[Li+].[OH-]
InChIInChI=1S/C36H29ClN8O.C31H26ClN7O2.C29H22ClN7O2.C22H20N4O3S.C21H18N4O.C17H15ClN8O.C10H10ClN3O2.C4H8O.CH4.ClHN4.Li.H2O/c1-24-18-20-29(21-19-24)39-35(46)30-22-38-34-32(33(30)37)25(2)41-44(34)23-31-40-42-43-45(31)36(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-3-41-30(40)25-19-33-29-27(28(25)32)21(2)35-38(29)20-26-34-36-37-39(26)31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;1-19-25-26(30)23(28(38)39)17-31-27(25)36(33-19)18-24-32-34-35-37(24)29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;1-30(27,28)29-17-21-23-24-25-26(21)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;26-16-20-22-23-24-25(20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-9-3-5-11(6-4-9)20-17(27)12-7-19-16-14(15(12)18)10(2)23-26(16)8-13-21-24-25-22-13;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-2-4-5-3-1;;1-3-5-4-2;;/h3-22H,23H2,1-2H3,(H,39,46);4-19H,3,20H2,1-2H3;2-17H,18H2,1H3,(H,38,39);2-16H,17H2,1H3;1-15,26H,16H2;3-7H,8H2,1-2H3,(H,20,27)(H,21,22,24,25);4H,3H2,1-2H3,(H,12,13,14);1-4H2;1H4;2H;;1H2/q;;;;;;;;;;+1;/p-1/b;;;;;;;;;4-2+,5-3?;;
InChIKeyKPEWYRASDRNOEU-OMFQJUCNSA-M
MW3315.14 g/mol
LogP27.65
Rot. Bonds42

About lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide

lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide (PubChem CID 159200335) has the molecular formula C171H154Cl6LiN45O14S and a molecular weight of 3315.14 g/mol. Its IUPAC name is lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide.

Molecular Properties

Compound Namelithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide
PubChem CID159200335
Molecular FormulaC171H154Cl6LiN45O14S
Molecular Weight3315.14 g/mol
Exact Mass3310.07
IUPAC Namelithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide
SMILESC.C1CCOC1.CCOC(=O)c1cnc2c(c(C)nn2Cc2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.CS(=O)(=O)OCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3nn[nH]n3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2Cl)cc1.Cc1nn(Cc2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncc(C(=O)O)c(Cl)c12.OCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.[H]/N=N/N=NCl.[Li+].[OH-]
InChIInChI=1S/C36H29ClN8O.C31H26ClN7O2.C29H22ClN7O2.C22H20N4O3S.C21H18N4O.C17H15ClN8O.C10H10ClN3O2.C4H8O.CH4.ClHN4.Li.H2O/c1-24-18-20-29(21-19-24)39-35(46)30-22-38-34-32(33(30)37)25(2)41-44(34)23-31-40-42-43-45(31)36(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-3-41-30(40)25-19-33-29-27(28(25)32)21(2)35-38(29)20-26-34-36-37-39(26)31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;1-19-25-26(30)23(28(38)39)17-31-27(25)36(33-19)18-24-32-34-35-37(24)29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;1-30(27,28)29-17-21-23-24-25-26(21)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;26-16-20-22-23-24-25(20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-9-3-5-11(6-4-9)20-17(27)12-7-19-16-14(15(12)18)10(2)23-26(16)8-13-21-24-25-22-13;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-2-4-5-3-1;;1-3-5-4-2;;/h3-22H,23H2,1-2H3,(H,39,46);4-19H,3,20H2,1-2H3;2-17H,18H2,1H3,(H,38,39);2-16H,17H2,1H3;1-15,26H,16H2;3-7H,8H2,1-2H3,(H,20,27)(H,21,22,24,25);4H,3H2,1-2H3,(H,12,13,14);1-4H2;1H4;2H;;1H2/q;;;;;;;;;;+1;/p-1/b;;;;;;;;;4-2+,5-3?;;
InChIKeyKPEWYRASDRNOEU-OMFQJUCNSA-M
XLogP27.65
TPSA748.73 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds42
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003315.14
LogP ≤ 527.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide with MolForge

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Related Compounds

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tert-butyl 4-(hydroxymethyl)piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-1-(cyclohexylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(piperidin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(cyclohexylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-1-(cyclohexylmethyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
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lithium;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-(chloromethyl)-6-methylpyrimidine;4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-1-[(6-methylpyrimidin-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;hydroxide
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Frequently Asked Questions

What is the IUPAC name of lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide?
The IUPAC name of lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide (CID 159200335) is lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide.
What is the SMILES notation for lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide?
The canonical SMILES for lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide is C.C1CCOC1.CCOC(=O)c1cnc2c(c(C)nn2Cc2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.CS(=O)(=O)OCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3nn[nH]n3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3nnnn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2Cl)cc1.Cc1nn(Cc2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncc(C(=O)O)c(Cl)c12.OCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1.[H]/N=N/N=NCl.[Li+].[OH-].
What is the InChIKey of lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide?
The InChIKey is KPEWYRASDRNOEU-OMFQJUCNSA-M. The full InChI is InChI=1S/C36H29ClN8O.C31H26ClN7O2.C29H22ClN7O2.C22H20N4O3S.C21H18N4O.C17H15ClN8O.C10H10ClN3O2.C4H8O.CH4.ClHN4.Li.H2O/c1-24-18-20-29(21-19-24)39-35(46)30-22-38-34-32(33(30)37)25(2)41-44(34)23-31-40-42-43-45(31)36(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28;1-3-41-30(40)25-19-33-29-27(28(25)32)21(2)35-38(29)20-26-34-36-37-39(26)31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;1-19-25-26(30)23(28(38)39)17-31-27(25)36(33-19)18-24-32-34-35-37(24)29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;1-30(27,28)29-17-21-23-24-25-26(21)22(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;26-16-20-22-23-24-25(20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;1-9-3-5-11(6-4-9)20-17(27)12-7-19-16-14(15(12)18)10(2)23-26(16)8-13-21-24-25-22-13;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-2-4-5-3-1;;1-3-5-4-2;;/h3-22H,23H2,1-2H3,(H,39,46);4-19H,3,20H2,1-2H3;2-17H,18H2,1H3,(H,38,39);2-16H,17H2,1H3;1-15,26H,16H2;3-7H,8H2,1-2H3,(H,20,27)(H,21,22,24,25);4H,3H2,1-2H3,(H,12,13,14);1-4H2;1H4;2H;;1H2/q;;;;;;;;;;+1;/p-1/b;;;;;;;;;4-2+,5-3?;;.
What are the key properties of lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide?
lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide has a molecular weight of 3315.14 g/mol, XLogP of 27.65, 42 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;chloro(diazenyl)diazene;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-1-[(1-trityltetrazol-5-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxylate;methane;oxolane;(1-trityltetrazol-5-yl)methanol;(1-trityltetrazol-5-yl)methyl methanesulfonate;hydroxide is sourced from PubChem (CID 159200335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).