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

C95H104BrI3N19NaO10Zn — CID 157453359

IUPACsodium;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
SMILESCC(C)I.COC(=O)c1cc(-c2ccc(C)cn2)c2cnn(C(C)C)c2c1.COC(=O)c1cc(I)c2cn[nH]c2c1.COC(=O)c1cc(I)c2cnn(C(C)C)c2c1.Cc1cc[c-]nc1.Cc1ccc(-c2cc(C(=O)CCc3cnc(C)cn3)cc3c2cnn3C(C)C)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2cnn3C(C)C)nc1.Cc1cnc(CN)cn1.[Na+].[OH-].[Zn+]Br
InChIInChI=1S/C24H25N5O.C18H19N3O2.C17H17N3O2.C12H13IN2O2.C9H7IN2O2.C6H9N3.C6H6N.C3H7I.BrH.Na.H2O.Zn/c1-15(2)29-23-10-18(24(30)8-6-19-13-25-17(4)12-26-19)9-20(21(23)14-28-29)22-7-5-16(3)11-27-22;1-11(2)21-17-8-13(18(22)23-4)7-14(15(17)10-20-21)16-6-5-12(3)9-19-16;1-10(2)20-16-7-12(17(21)22)6-13(14(16)9-19-20)15-5-4-11(3)8-18-15;1-7(2)15-11-5-8(12(16)17-3)4-10(13)9(11)6-14-15;1-14-9(13)5-2-7(10)6-4-11-12-8(6)3-5;1-5-3-9-6(2-7)4-8-5;1-6-3-2-4-7-5-6;1-3(2)4;;;;/h5,7,9-15H,6,8H2,1-4H3;5-11H,1-4H3;4-10H,1-3H3,(H,21,22);4-7H,1-3H3;2-4H,1H3,(H,11,12);3-4H,2,7H2,1H3;2-3,5H,1H3;3H,1-2H3;1H;;1H2;/q;;;;;;-1;;;+1;;+2/p-2
InChIKeyAKDUVZBJGLLHBG-UHFFFAOYSA-L
MW2221.00 g/mol
LogP18.26
Rot. Bonds16

About 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

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 (PubChem CID 157453359) has the molecular formula C95H104BrI3N19NaO10Zn and a molecular weight of 2221.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namesodium;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
PubChem CID157453359
Molecular FormulaC95H104BrI3N19NaO10Zn
Molecular Weight2221.00 g/mol
Exact Mass2217.37
IUPAC Namesodium;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
SMILESCC(C)I.COC(=O)c1cc(-c2ccc(C)cn2)c2cnn(C(C)C)c2c1.COC(=O)c1cc(I)c2cn[nH]c2c1.COC(=O)c1cc(I)c2cnn(C(C)C)c2c1.Cc1cc[c-]nc1.Cc1ccc(-c2cc(C(=O)CCc3cnc(C)cn3)cc3c2cnn3C(C)C)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2cnn3C(C)C)nc1.Cc1cnc(CN)cn1.[Na+].[OH-].[Zn+]Br
InChIInChI=1S/C24H25N5O.C18H19N3O2.C17H17N3O2.C12H13IN2O2.C9H7IN2O2.C6H9N3.C6H6N.C3H7I.BrH.Na.H2O.Zn/c1-15(2)29-23-10-18(24(30)8-6-19-13-25-17(4)12-26-19)9-20(21(23)14-28-29)22-7-5-16(3)11-27-22;1-11(2)21-17-8-13(18(22)23-4)7-14(15(17)10-20-21)16-6-5-12(3)9-19-16;1-10(2)20-16-7-12(17(21)22)6-13(14(16)9-19-20)15-5-4-11(3)8-18-15;1-7(2)15-11-5-8(12(16)17-3)4-10(13)9(11)6-14-15;1-14-9(13)5-2-7(10)6-4-11-12-8(6)3-5;1-5-3-9-6(2-7)4-8-5;1-6-3-2-4-7-5-6;1-3(2)4;;;;/h5,7,9-15H,6,8H2,1-4H3;5-11H,1-4H3;4-10H,1-3H3,(H,21,22);4-7H,1-3H3;2-4H,1H3,(H,11,12);3-4H,2,7H2,1H3;2-3,5H,1H3;3H,1-2H3;1H;;1H2;/q;;;;;;-1;;;+1;;+2/p-2
InChIKeyAKDUVZBJGLLHBG-UHFFFAOYSA-L
XLogP18.26
TPSA392.37 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002221.00
LogP ≤ 518.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)I.COC(=O)c1cc(-c2ccc(C)cn2)c2cnn(C(C)C)c2c1.COC(=O)c1cc(I)c2cn[nH]c2c1.COC(=O)c1cc(I)c2cnn(C(C)C)c2c1.Cc1cc[c-]nc1.Cc1ccc(-c2cc(C(=O)CCc3cnc(C)cn3)cc3c2cnn3C(C)C)nc1.Cc1ccc(-c2cc(C(=O)O)cc3c2cnn3C(C)C)nc1.Cc1cnc(CN)cn1.[Na+].[OH-].[Zn+]Br.
What is the InChIKey of 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?
The InChIKey is AKDUVZBJGLLHBG-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H25N5O.C18H19N3O2.C17H17N3O2.C12H13IN2O2.C9H7IN2O2.C6H9N3.C6H6N.C3H7I.BrH.Na.H2O.Zn/c1-15(2)29-23-10-18(24(30)8-6-19-13-25-17(4)12-26-19)9-20(21(23)14-28-29)22-7-5-16(3)11-27-22;1-11(2)21-17-8-13(18(22)23-4)7-14(15(17)10-20-21)16-6-5-12(3)9-19-16;1-10(2)20-16-7-12(17(21)22)6-13(14(16)9-19-20)15-5-4-11(3)8-18-15;1-7(2)15-11-5-8(12(16)17-3)4-10(13)9(11)6-14-15;1-14-9(13)5-2-7(10)6-4-11-12-8(6)3-5;1-5-3-9-6(2-7)4-8-5;1-6-3-2-4-7-5-6;1-3(2)4;;;;/h5,7,9-15H,6,8H2,1-4H3;5-11H,1-4H3;4-10H,1-3H3,(H,21,22);4-7H,1-3H3;2-4H,1H3,(H,11,12);3-4H,2,7H2,1H3;2-3,5H,1H3;3H,1-2H3;1H;;1H2;/q;;;;;;-1;;;+1;;+2/p-2.
What are the key properties of 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?
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 has a molecular weight of 2221.00 g/mol, XLogP of 18.26, 16 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157453359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).