potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride

C81H92BCl2KN10O12 — CID 161276923

IUPACpotassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride
SMILESC=CB1OC(C)(C)C(C)(C)O1.C=Cc1ccc2cnn(C(Cc3ccccc3)C(=O)OC)c2c1.CCc1ccc2cnn(C(Cc3ccccc3)C(=O)NO)c2c1.CCc1ccc2cnn(C(Cc3ccccc3)C(=O)OC)c2c1.COC(=O)C(Cc1ccccc1)n1ncc2ccc(Cl)cc21.Cl.NO.[K+].[OH-]
InChIInChI=1S/C19H20N2O2.C19H18N2O2.C18H19N3O2.C17H15ClN2O2.C8H15BO2.ClH.K.H3NO.H2O/c2*1-3-14-9-10-16-13-20-21(17(16)11-14)18(19(22)23-2)12-15-7-5-4-6-8-15;1-2-13-8-9-15-12-19-21(16(15)10-13)17(18(22)20-23)11-14-6-4-3-5-7-14;1-22-17(21)16(9-12-5-3-2-4-6-12)20-15-10-14(18)8-7-13(15)11-19-20;1-6-9-10-7(2,3)8(4,5)11-9;;;1-2;/h4-11,13,18H,3,12H2,1-2H3;3-11,13,18H,1,12H2,2H3;3-10,12,17,23H,2,11H2,1H3,(H,20,22);2-8,10-11,16H,9H2,1H3;6H,1H2,2-5H3;1H;;2H,1H2;1H2/q;;;;;;+1;;/p-1
InChIKeyMTJJBKZIZSURFX-UHFFFAOYSA-M
MW1518.50 g/mol
LogP12.11
Rot. Bonds20

About potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride

potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride (PubChem CID 161276923) has the molecular formula C81H92BCl2KN10O12 and a molecular weight of 1518.50 g/mol. Its IUPAC name is potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride.

Molecular Properties

Compound Namepotassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride
PubChem CID161276923
Molecular FormulaC81H92BCl2KN10O12
Molecular Weight1518.50 g/mol
Exact Mass1516.60
IUPAC Namepotassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride
SMILESC=CB1OC(C)(C)C(C)(C)O1.C=Cc1ccc2cnn(C(Cc3ccccc3)C(=O)OC)c2c1.CCc1ccc2cnn(C(Cc3ccccc3)C(=O)NO)c2c1.CCc1ccc2cnn(C(Cc3ccccc3)C(=O)OC)c2c1.COC(=O)C(Cc1ccccc1)n1ncc2ccc(Cl)cc21.Cl.NO.[K+].[OH-]
InChIInChI=1S/C19H20N2O2.C19H18N2O2.C18H19N3O2.C17H15ClN2O2.C8H15BO2.ClH.K.H3NO.H2O/c2*1-3-14-9-10-16-13-20-21(17(16)11-14)18(19(22)23-2)12-15-7-5-4-6-8-15;1-2-13-8-9-15-12-19-21(16(15)10-13)17(18(22)20-23)11-14-6-4-3-5-7-14;1-22-17(21)16(9-12-5-3-2-4-6-12)20-15-10-14(18)8-7-13(15)11-19-20;1-6-9-10-7(2,3)8(4,5)11-9;;;1-2;/h4-11,13,18H,3,12H2,1-2H3;3-11,13,18H,1,12H2,2H3;3-10,12,17,23H,2,11H2,1H3,(H,20,22);2-8,10-11,16H,9H2,1H3;6H,1H2,2-5H3;1H;;2H,1H2;1H2/q;;;;;;+1;;/p-1
InChIKeyMTJJBKZIZSURFX-UHFFFAOYSA-M
XLogP12.11
TPSA294.22 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001518.50
LogP ≤ 512.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride with MolForge

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Related Compounds

methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate
CID 140901178
N-hydroxy-2-[5-(2-methoxypyrimidin-5-yl)pyrazolo[3,4-c]pyridin-1-yl]-3-phenylpropanamide
CID 126601546
N-hydroxy-3-phenyl-2-(5-phenylindazol-1-yl)propanamide
CID 126601527
N-hydroxy-2-(5-methylpyrazolo[4,5-b]pyridin-1-yl)-3-phenylpropanamide
CID 126601422
2-[5-(4-cyanophenyl)indazol-1-yl]-N-hydroxy-3-phenylpropanamide
CID 126601539
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
9H-fluoren-9-ylmethyl N-[3-(1-methylindazol-6-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
CID 170811406
methyl (2S)-2-[4-(2,5-dichlorophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanoate
CID 118106583
3-(4-chlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-1-yl]propanoic acid
CID 175299635
(E)-3-(4-chlorophenyl)prop-2-enoic acid;methyl (2S)-2-amino-3-phenylpropanoate
CID 139253150
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
2-chloro-9-hydroxyfluorene-9-carboxylic acid;methyl 2-chloro-3-(4-chlorophenyl)propanoate
CID 160828630

Frequently Asked Questions

What is the IUPAC name of potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride?
The IUPAC name of potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride (CID 161276923) is potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride.
What is the SMILES notation for potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride?
The canonical SMILES for potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1ccc2cnn(C(Cc3ccccc3)C(=O)OC)c2c1.CCc1ccc2cnn(C(Cc3ccccc3)C(=O)NO)c2c1.CCc1ccc2cnn(C(Cc3ccccc3)C(=O)OC)c2c1.COC(=O)C(Cc1ccccc1)n1ncc2ccc(Cl)cc21.Cl.NO.[K+].[OH-].
What is the InChIKey of potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride?
The InChIKey is MTJJBKZIZSURFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20N2O2.C19H18N2O2.C18H19N3O2.C17H15ClN2O2.C8H15BO2.ClH.K.H3NO.H2O/c2*1-3-14-9-10-16-13-20-21(17(16)11-14)18(19(22)23-2)12-15-7-5-4-6-8-15;1-2-13-8-9-15-12-19-21(16(15)10-13)17(18(22)20-23)11-14-6-4-3-5-7-14;1-22-17(21)16(9-12-5-3-2-4-6-12)20-15-10-14(18)8-7-13(15)11-19-20;1-6-9-10-7(2,3)8(4,5)11-9;;;1-2;/h4-11,13,18H,3,12H2,1-2H3;3-11,13,18H,1,12H2,2H3;3-10,12,17,23H,2,11H2,1H3,(H,20,22);2-8,10-11,16H,9H2,1H3;6H,1H2,2-5H3;1H;;2H,1H2;1H2/q;;;;;;+1;;/p-1.
What are the key properties of potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride?
potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride has a molecular weight of 1518.50 g/mol, XLogP of 12.11, 20 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(6-ethylindazol-1-yl)-N-hydroxy-3-phenylpropanamide;hydroxylamine;methyl 2-(6-chloroindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethenylindazol-1-yl)-3-phenylpropanoate;methyl 2-(6-ethylindazol-1-yl)-3-phenylpropanoate;hydroxide;hydrochloride is sourced from PubChem (CID 161276923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).