sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide

C89H81N18NaO8 — CID 158824967

IUPACsodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide
SMILESC.COC(=O)c1cc(-c2ccc(C)cn2)c2cn[nH]c2c1.COC(=O)c1cc(-c2ccc(C)cn2)c2cnn(-c3ccccc3)c2c1.Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3-c2ccccc2)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2cnn3-c2ccccc2)nc1.Cc1cnc(CN)cn1.[Na+].[OH-]
InChIInChI=1S/C26H22N6O.C21H17N3O2.C20H15N3O2.C15H13N3O2.C6H9N3.CH4.Na.H2O/c1-17-8-9-24(29-12-17)22-10-19(26(33)30-15-20-14-27-18(2)13-28-20)11-25-23(22)16-31-32(25)21-6-4-3-5-7-21;1-14-8-9-19(22-12-14)17-10-15(21(25)26-2)11-20-18(17)13-23-24(20)16-6-4-3-5-7-16;1-13-7-8-18(21-11-13)16-9-14(20(24)25)10-19-17(16)12-22-23(19)15-5-3-2-4-6-15;1-9-3-4-13(16-7-9)11-5-10(15(19)20-2)6-14-12(11)8-17-18-14;1-5-3-9-6(2-7)4-8-5;;;/h3-14,16H,15H2,1-2H3,(H,30,33);3-13H,1-2H3;2-12H,1H3,(H,24,25);3-8H,1-2H3,(H,17,18);3-4H,2,7H2,1H3;1H4;;1H2/q;;;;;;+1;/p-1
InChIKeyIWIMISAJYBQGCS-UHFFFAOYSA-M
MW1553.73 g/mol
LogP13.13
Rot. Bonds14

About sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide

sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide (PubChem CID 158824967) has the molecular formula C89H81N18NaO8 and a molecular weight of 1553.73 g/mol. Its IUPAC name is sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide
PubChem CID158824967
Molecular FormulaC89H81N18NaO8
Molecular Weight1553.73 g/mol
Exact Mass1552.64
IUPAC Namesodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide
SMILESC.COC(=O)c1cc(-c2ccc(C)cn2)c2cn[nH]c2c1.COC(=O)c1cc(-c2ccc(C)cn2)c2cnn(-c3ccccc3)c2c1.Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3-c2ccccc2)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2cnn3-c2ccccc2)nc1.Cc1cnc(CN)cn1.[Na+].[OH-]
InChIInChI=1S/C26H22N6O.C21H17N3O2.C20H15N3O2.C15H13N3O2.C6H9N3.CH4.Na.H2O/c1-17-8-9-24(29-12-17)22-10-19(26(33)30-15-20-14-27-18(2)13-28-20)11-25-23(22)16-31-32(25)21-6-4-3-5-7-21;1-14-8-9-19(22-12-14)17-10-15(21(25)26-2)11-20-18(17)13-23-24(20)16-6-4-3-5-7-16;1-13-7-8-18(21-11-13)16-9-14(20(24)25)10-19-17(16)12-22-23(19)15-5-3-2-4-6-15;1-9-3-4-13(16-7-9)11-5-10(15(19)20-2)6-14-12(11)8-17-18-14;1-5-3-9-6(2-7)4-8-5;;;/h3-14,16H,15H2,1-2H3,(H,30,33);3-13H,1-2H3;2-12H,1H3,(H,24,25);3-8H,1-2H3,(H,17,18);3-4H,2,7H2,1H3;1H4;;1H2/q;;;;;;+1;/p-1
InChIKeyIWIMISAJYBQGCS-UHFFFAOYSA-M
XLogP13.13
TPSA360.28 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.73
LogP ≤ 513.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide with MolForge

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Related Compounds

ethane;methyl 3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxylate;N-(1-methylpiperidin-4-yl)-3-[1-[4-(morpholin-4-ylmethyl)phenyl]triazol-4-yl]-1H-indazole-5-carboxamide
CID 144403381
lithium;ethyl (2S)-2-amino-9-(5,6,7,8-tetrahydroquinolin-7-ylium-2-yl)nonanoate;ethyl (2S)-2-(1H-indazole-6-carbonylamino)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoate;(2S)-2-(1H-indazole-6-carbonylamino)-9-(5,6,7,8-tetrahydroquinolin-2-yl)nonanoic acid;3H-isoindole-5-carboxylic acid;methanol;oxolane;sulfane;hydroxide
CID 157134988
8-tert-butyl-6-ethenylisoquinoline;8-tert-butyl-6-ethylisoquinoline;3-tert-butyl-1H-indole;(8-tert-butylisoquinolin-6-yl)methanol;4-(8-tert-butylisoquinolin-3-yl)-1-methylpyrazole-3-carbonitrile;3-tert-butyl-1-methylindole;8-tert-butyl-6-methylisoquinoline;8-tert-butyl-5-methyl-3-(1-methylpyrazol-4-yl)isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one;3-tert-butyl-6-(1-methylpyrazol-4-yl)-1H-indole;2-methyl-5-(1-methylpyrazol-4-yl)-1-propan-2-ylpyrrolo[2,3-c]pyridine
CID 157140414
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1H-pyrazole-5-carboxylic acid;ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1H-pyrazole-5-carboxylate
CID 157290813
sodium;bromozinc(1+);2-iodopropane;methyl 4-iodo-1H-indazole-6-carboxylate;methyl 4-iodo-1-propan-2-ylindazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;3-(5-methylpyrazin-2-yl)-1-[4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazol-6-yl]propan-1-one;5-methyl-2H-pyridin-2-ide;4-(5-methyl-2-pyridinyl)-1-propan-2-ylindazole-6-carboxylic acid;hydroxide
CID 157453359
CID 157594753
CID 157594753
methyl 3-formyl-2H-indazole-5-carboxylate;methyl 1H-indole-5-carboxylate;methyl 3-(morpholin-4-ylmethyl)-2H-indazole-5-carboxylate;3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde;[3-(morpholin-4-ylmethyl)-2H-indazol-5-yl]methanol
CID 157603730
5-(2-aminoethyl)-1H-pyrazolo[4,5-c][1,6]naphthyridin-4-one;5-(2-aminoethyl)-1H-pyrazolo[4,5-c][1,7]naphthyridin-4-one;benzyl N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]carbamate;tert-butyl N-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]carbamate;N-[4-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)butyl]-2-(4-methylphenyl)acetamide
CID 157678493
7-(hydroxymethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157701373
Methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid
CID 157707945
1,2-Dimethyl-3-propan-2-ylindole-5-carboxylic acid;1,5-dimethyl-7-propan-2-ylindole-2-carboxylic acid;1-[4-[(3-ethyl-1-methylindol-5-yl)methyl]piperazin-1-yl]ethanone;1-methyl-5-[(4-methylpiperazin-1-yl)methyl]-3-propan-2-ylindole;1-methyl-3-propan-2-ylindazole-4-carboxylic acid;1-methyl-3-propan-2-ylindole-6-carboxamide;bis(7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid)
CID 158234166
sodium;N-(2-aminophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxamide;tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-[2-[[1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carbonyl]amino]phenyl]carbamate;3-(chloromethyl)-5-fluoropyridine;1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylic acid;methane;methyl 4-amino-3-methylbenzoate;methyl 1-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 2-[(5-fluoro-3-pyridinyl)methyl]indazole-5-carboxylate;methyl 1H-indazole-5-carboxylate;hydroxide;hydrochloride
CID 158277184

Frequently Asked Questions

What is the IUPAC name of sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide?
The IUPAC name of sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide (CID 158824967) is sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide?
The canonical SMILES for sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide is C.COC(=O)c1cc(-c2ccc(C)cn2)c2cn[nH]c2c1.COC(=O)c1cc(-c2ccc(C)cn2)c2cnn(-c3ccccc3)c2c1.Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc3c2cnn3-c2ccccc2)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2cnn3-c2ccccc2)nc1.Cc1cnc(CN)cn1.[Na+].[OH-].
What is the InChIKey of sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide?
The InChIKey is IWIMISAJYBQGCS-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H22N6O.C21H17N3O2.C20H15N3O2.C15H13N3O2.C6H9N3.CH4.Na.H2O/c1-17-8-9-24(29-12-17)22-10-19(26(33)30-15-20-14-27-18(2)13-28-20)11-25-23(22)16-31-32(25)21-6-4-3-5-7-21;1-14-8-9-19(22-12-14)17-10-15(21(25)26-2)11-20-18(17)13-23-24(20)16-6-4-3-5-7-16;1-13-7-8-18(21-11-13)16-9-14(20(24)25)10-19-17(16)12-22-23(19)15-5-3-2-4-6-15;1-9-3-4-13(16-7-9)11-5-10(15(19)20-2)6-14-12(11)8-17-18-14;1-5-3-9-6(2-7)4-8-5;;;/h3-14,16H,15H2,1-2H3,(H,30,33);3-13H,1-2H3;2-12H,1H3,(H,24,25);3-8H,1-2H3,(H,17,18);3-4H,2,7H2,1H3;1H4;;1H2/q;;;;;;+1;/p-1.
What are the key properties of sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide?
sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide has a molecular weight of 1553.73 g/mol, XLogP of 13.13, 14 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methane;methyl 4-(5-methyl-2-pyridinyl)-1H-indazole-6-carboxylate;methyl 4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylate;(5-methylpyrazin-2-yl)methanamine;N-[(5-methylpyrazin-2-yl)methyl]-4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxamide;4-(5-methyl-2-pyridinyl)-1-phenylindazole-6-carboxylic acid;hydroxide is sourced from PubChem (CID 158824967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).