dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide

C113H114BrCl5F5Li2N15O17 — CID 160887275

About dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide

dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide (PubChem CID 160887275) has the molecular formula C113H114BrCl5F5Li2N15O17 and a molecular weight of 2320.28 g/mol. Its IUPAC name is dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide.

Molecular Properties

• Compound Name: dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide
• PubChem CID: 160887275
• Molecular Formula: C113H114BrCl5F5Li2N15O17
• Molecular Weight: 2320.28 g/mol
• Exact Mass: 2315.64
• IUPAC Name: dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide
• SMILES: COC(=O)C1CCNCC1C.COC(=O)[C@@H]1CCN(c2nn(C(=O)c3c(C)cccc3Cl)c3cccc(F)c23)C[C@@H]1C.COC(=O)[C@H]1CCN(c2nn(C(=O)c3c(C)cccc3Cl)c3cccc(F)c23)C[C@@H]1C.Cc1cccc(Cl)c1C(=O)n1nc(Br)c2c(F)cccc21.Cc1cccc(Cl)c1C(=O)n1nc(N2CC[C@@H](C(=O)O)[C@@H](C)C2)c2c(F)cccc21.Cc1cccc(Cl)c1C(=O)n1nc(N2CC[C@H](C(=O)O)[C@@H](C)C2)c2c(F)cccc21.[Li+].[Li+].[OH-].[OH-]
• InChI: InChI=1S/2C23H23ClFN3O3.2C22H21ClFN3O3.C15H9BrClFN2O.C8H15NO2.2Li.2H2O/c2*1-13-6-4-7-16(24)19(13)22(29)28-18-9-5-8-17(25)20(18)21(26-28)27-11-10-15(14(2)12-27)23(30)31-3;2*1-12-5-3-6-15(23)18(12)21(28)27-17-8-4-7-16(24)19(17)20(25-27)26-10-9-14(22(29)30)13(2)11-26;1-8-4-2-5-9(17)12(8)15(21)20-11-7-3-6-10(18)13(11)14(16)19-20;1-6-5-9-4-3-7(6)8(10)11-2;;;;/h2*4-9,14-15H,10-12H2,1-3H3;2*3-8,13-14H,9-11H2,1-2H3,(H,29,30);2-7H,1H3;6-7,9H,3-5H2,1-2H3;;;2*1H2/q;;;;;;2*+1;;/p-2/t14-,15+;14-,15-;13-,14+;13-,14-;;;;;;/m0000....../s1
• InChIKey: SNUOSRDYRBSOPQ-HEGQJNRLSA-L
• XLogP: 16.32
• TPSA: 412.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2320.28
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide?

The IUPAC name of dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide (CID 160887275) is dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide.

What is the SMILES notation for dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide?

The canonical SMILES for dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide is COC(=O)C1CCNCC1C.COC(=O)[C@@H]1CCN(c2nn(C(=O)c3c(C)cccc3Cl)c3cccc(F)c23)C[C@@H]1C.COC(=O)[C@H]1CCN(c2nn(C(=O)c3c(C)cccc3Cl)c3cccc(F)c23)C[C@@H]1C.Cc1cccc(Cl)c1C(=O)n1nc(Br)c2c(F)cccc21.Cc1cccc(Cl)c1C(=O)n1nc(N2CC[C@@H](C(=O)O)[C@@H](C)C2)c2c(F)cccc21.Cc1cccc(Cl)c1C(=O)n1nc(N2CC[C@H](C(=O)O)[C@@H](C)C2)c2c(F)cccc21.[Li+].[Li+].[OH-].[OH-].

What is the InChIKey of dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide?

The InChIKey is SNUOSRDYRBSOPQ-HEGQJNRLSA-L. The full InChI is InChI=1S/2C23H23ClFN3O3.2C22H21ClFN3O3.C15H9BrClFN2O.C8H15NO2.2Li.2H2O/c2*1-13-6-4-7-16(24)19(13)22(29)28-18-9-5-8-17(25)20(18)21(26-28)27-11-10-15(14(2)12-27)23(30)31-3;2*1-12-5-3-6-15(23)18(12)21(28)27-17-8-4-7-16(24)19(17)20(25-27)26-10-9-14(22(29)30)13(2)11-26;1-8-4-2-5-9(17)12(8)15(21)20-11-7-3-6-10(18)13(11)14(16)19-20;1-6-5-9-4-3-7(6)8(10)11-2;;;;/h2*4-9,14-15H,10-12H2,1-3H3;2*3-8,13-14H,9-11H2,1-2H3,(H,29,30);2-7H,1H3;6-7,9H,3-5H2,1-2H3;;;2*1H2/q;;;;;;2*+1;;/p-2/t14-,15+;14-,15-;13-,14+;13-,14-;;;;;;/m0000....../s1.

What are the key properties of dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide?

dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide has a molecular weight of 2320.28 g/mol, XLogP of 16.32, 14 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;(3-bromo-4-fluoroindazol-1-yl)-(2-chloro-6-methylphenyl)methanone;(3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;(3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylic acid;methyl (3R,4R)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl (3R,4S)-1-[1-(2-chloro-6-methylbenzoyl)-4-fluoroindazol-3-yl]-3-methylpiperidine-4-carboxylate;methyl 3-methylpiperidine-4-carboxylate;dihydroxide is sourced from PubChem (CID 160887275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).