lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride

C100H115Br7Cl3F2IK2LiN17O20 — CID 160789399

IUPAClithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride
SMILESCC(=O)c1n[nH]c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)CBr.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CN(C)C(=O)c1n[nH]c2ccc(Br)cc12.CNOC.Cl.O=C(O)c1n[nH]c2ccc(Br)cc12.O=CO[O-].[2H]CI.[CH3-].[H-].[K+].[K+].[Li+]
InChIInChI=1S/C23H23BrClFN4O3.C15H17BrN2O3.C13H17ClFNO.C11H9BrN2O3.C10H10BrN3O.C9H7BrN2O.C8H5BrN2O2.C6H11BrO2.C2H7NO.CH3I.CH2O3.CH3.ClH.2K.Li.H/c1-13(2)29(11-20(32)27-10-15-5-4-6-18(25)22(15)26)21(33)12-30-19-8-7-16(24)9-17(19)23(28-30)14(3)31;1-9(19)14-11-7-10(16)5-6-12(11)18(17-14)8-13(20)21-15(2,3)4;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-6(15)11-8-4-7(12)2-3-9(8)14(13-11)5-10(16)17;1-14(2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;1-5(13)9-7-4-6(10)2-3-8(7)11-12-9;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;1-6(2,3)9-5(8)4-7;1-3-4-2;1-2;2-1-4-3;;;;;;/h4-9,13H,10-12H2,1-3H3,(H,27,32);5-7H,8H2,1-4H3;3-5,9H,6-8H2,1-2H3,(H,16,17);2-4H,5H2,1H3,(H,16,17);3-5H,1-2H3,(H,12,13);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13);4H2,1-3H3;3H,1-2H3;1H3;1,3H;1H3;1H;;;;/q;;;;;;;;;;;-1;;3*+1;-1/p-1/i;;;;;;;;;1D;;;;;;;
InChIKeyCUCQPQDJKNRBOR-WMBOGCJYSA-M
MW2791.85 g/mol
LogP12.86
Rot. Bonds25

About lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride

lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride (PubChem CID 160789399) has the molecular formula C100H115Br7Cl3F2IK2LiN17O20 and a molecular weight of 2791.85 g/mol. Its IUPAC name is lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride.

Molecular Properties

Compound Namelithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride
PubChem CID160789399
Molecular FormulaC100H115Br7Cl3F2IK2LiN17O20
Molecular Weight2791.85 g/mol
Exact Mass2782.04
IUPAC Namelithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride
SMILESCC(=O)c1n[nH]c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)CBr.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CN(C)C(=O)c1n[nH]c2ccc(Br)cc12.CNOC.Cl.O=C(O)c1n[nH]c2ccc(Br)cc12.O=CO[O-].[2H]CI.[CH3-].[H-].[K+].[K+].[Li+]
InChIInChI=1S/C23H23BrClFN4O3.C15H17BrN2O3.C13H17ClFNO.C11H9BrN2O3.C10H10BrN3O.C9H7BrN2O.C8H5BrN2O2.C6H11BrO2.C2H7NO.CH3I.CH2O3.CH3.ClH.2K.Li.H/c1-13(2)29(11-20(32)27-10-15-5-4-6-18(25)22(15)26)21(33)12-30-19-8-7-16(24)9-17(19)23(28-30)14(3)31;1-9(19)14-11-7-10(16)5-6-12(11)18(17-14)8-13(20)21-15(2,3)4;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-6(15)11-8-4-7(12)2-3-9(8)14(13-11)5-10(16)17;1-14(2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;1-5(13)9-7-4-6(10)2-3-8(7)11-12-9;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;1-6(2,3)9-5(8)4-7;1-3-4-2;1-2;2-1-4-3;;;;;;/h4-9,13H,10-12H2,1-3H3,(H,27,32);5-7H,8H2,1-4H3;3-5,9H,6-8H2,1-2H3,(H,16,17);2-4H,5H2,1H3,(H,16,17);3-5H,1-2H3,(H,12,13);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13);4H2,1-3H3;3H,1-2H3;1H3;1,3H;1H3;1H;;;;/q;;;;;;;;;;;-1;;3*+1;-1/p-1/i;;;;;;;;;1D;;;;;;;
InChIKeyCUCQPQDJKNRBOR-WMBOGCJYSA-M
XLogP12.86
TPSA504.42 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002791.85
LogP ≤ 512.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride?
The IUPAC name of lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride (CID 160789399) is lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride.
What is the SMILES notation for lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride?
The canonical SMILES for lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride is CC(=O)c1n[nH]c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C(C)C)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)O)c2ccc(Br)cc12.CC(=O)c1nn(CC(=O)OC(C)(C)C)c2ccc(Br)cc12.CC(C)(C)OC(=O)CBr.CC(C)CCC(=O)NCc1cccc(Cl)c1F.CN(C)C(=O)c1n[nH]c2ccc(Br)cc12.CNOC.Cl.O=C(O)c1n[nH]c2ccc(Br)cc12.O=CO[O-].[2H]CI.[CH3-].[H-].[K+].[K+].[Li+].
What is the InChIKey of lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride?
The InChIKey is CUCQPQDJKNRBOR-WMBOGCJYSA-M. The full InChI is InChI=1S/C23H23BrClFN4O3.C15H17BrN2O3.C13H17ClFNO.C11H9BrN2O3.C10H10BrN3O.C9H7BrN2O.C8H5BrN2O2.C6H11BrO2.C2H7NO.CH3I.CH2O3.CH3.ClH.2K.Li.H/c1-13(2)29(11-20(32)27-10-15-5-4-6-18(25)22(15)26)21(33)12-30-19-8-7-16(24)9-17(19)23(28-30)14(3)31;1-9(19)14-11-7-10(16)5-6-12(11)18(17-14)8-13(20)21-15(2,3)4;1-9(2)6-7-12(17)16-8-10-4-3-5-11(14)13(10)15;1-6(15)11-8-4-7(12)2-3-9(8)14(13-11)5-10(16)17;1-14(2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;1-5(13)9-7-4-6(10)2-3-8(7)11-12-9;9-4-1-2-6-5(3-4)7(8(12)13)11-10-6;1-6(2,3)9-5(8)4-7;1-3-4-2;1-2;2-1-4-3;;;;;;/h4-9,13H,10-12H2,1-3H3,(H,27,32);5-7H,8H2,1-4H3;3-5,9H,6-8H2,1-2H3,(H,16,17);2-4H,5H2,1H3,(H,16,17);3-5H,1-2H3,(H,12,13);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13);4H2,1-3H3;3H,1-2H3;1H3;1,3H;1H3;1H;;;;/q;;;;;;;;;;;-1;;3*+1;-1/p-1/i;;;;;;;;;1D;;;;;;;.
What are the key properties of lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride?
lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride has a molecular weight of 2791.85 g/mol, XLogP of 12.86, 25 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dipotassium;2-(3-acetyl-5-bromoindazol-1-yl)acetic acid;2-(3-acetyl-5-bromoindazol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;5-bromo-N,N-dimethyl-1H-indazole-3-carboxamide;5-bromo-1H-indazole-3-carboxylic acid;1-(5-bromo-1H-indazol-3-yl)ethanone;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-bromoacetate;carbanide;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;deuterio(iodo)methane;hydride;N-methoxymethanamine;oxido formate;hydrochloride is sourced from PubChem (CID 160789399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).