magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide

C104H97Br6Cl5F7KMgN12O16P2 — CID 160677957

IUPACmagnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide
SMILESC1CCOC1.CCO.CCOC(=O)c1cccc2c(-c3ccc(F)cc3)ncn12.CO.CPC.ClCCl.Fc1cc[c-]cc1.Fc1ccc(-c2ncn3c(Br)cccc23)cc1.NC=O.O=C(O)c1cccc2c(-c3ccc(F)cc3)ncn12.O=C(c1ccc(F)cc1)c1cccc(Br)n1.O=CNC(c1ccc(F)cc1)c1cccc(Br)n1.O=CO.O=Cc1cccc(Br)n1.O=P(Cl)(Cl)Cl.OC(c1ccc(F)cc1)c1cccc(Br)n1.[Br-].[K+].[Mg+2].[OH-]
InChIInChI=1S/C16H13FN2O2.C14H9FN2O2.C13H10BrFN2O.C13H8BrFN2.C12H9BrFNO.C12H7BrFNO.C6H4BrNO.C6H4F.C4H8O.C2H6O.C2H7P.CH2Cl2.CH3NO.CH2O2.CH4O.BrH.Cl3OP.K.Mg.H2O/c1-2-21-16(20)14-5-3-4-13-15(18-10-19(13)14)11-6-8-12(17)9-7-11;15-10-6-4-9(5-7-10)13-11-2-1-3-12(14(18)19)17(11)8-16-13;14-12-3-1-2-11(17-12)13(16-8-18)9-4-6-10(15)7-5-9;14-12-3-1-2-11-13(16-8-17(11)12)9-4-6-10(15)7-5-9;2*13-11-3-1-2-10(15-11)12(16)8-4-6-9(14)7-5-8;7-6-3-1-2-5(4-9)8-6;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-2-3;1-3-2;3*2-1-3;1-2;;1-5(2,3)4;;;/h3-10H,2H2,1H3;1-8H,(H,18,19);1-8,13H,(H,16,18);1-8H;1-7,12,16H;1-7H;1-4H;2-5H;1-4H2;3H,2H2,1H3;3H,1-2H3;1H2;1H,(H2,2,3);1H,(H,2,3);2H,1H3;1H;;;;1H2/q;;;;;;;-1;;;;;;;;;;+1;+2;/p-2
InChIKeyBUPDFVCIMLZALH-UHFFFAOYSA-L
MW2686.01 g/mol
LogP20.25
Rot. Bonds15

About magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide

magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide (PubChem CID 160677957) has the molecular formula C104H97Br6Cl5F7KMgN12O16P2 and a molecular weight of 2686.01 g/mol. Its IUPAC name is magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide.

Molecular Properties

Compound Namemagnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide
PubChem CID160677957
Molecular FormulaC104H97Br6Cl5F7KMgN12O16P2
Molecular Weight2686.01 g/mol
Exact Mass2675.95
IUPAC Namemagnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide
SMILESC1CCOC1.CCO.CCOC(=O)c1cccc2c(-c3ccc(F)cc3)ncn12.CO.CPC.ClCCl.Fc1cc[c-]cc1.Fc1ccc(-c2ncn3c(Br)cccc23)cc1.NC=O.O=C(O)c1cccc2c(-c3ccc(F)cc3)ncn12.O=C(c1ccc(F)cc1)c1cccc(Br)n1.O=CNC(c1ccc(F)cc1)c1cccc(Br)n1.O=CO.O=Cc1cccc(Br)n1.O=P(Cl)(Cl)Cl.OC(c1ccc(F)cc1)c1cccc(Br)n1.[Br-].[K+].[Mg+2].[OH-]
InChIInChI=1S/C16H13FN2O2.C14H9FN2O2.C13H10BrFN2O.C13H8BrFN2.C12H9BrFNO.C12H7BrFNO.C6H4BrNO.C6H4F.C4H8O.C2H6O.C2H7P.CH2Cl2.CH3NO.CH2O2.CH4O.BrH.Cl3OP.K.Mg.H2O/c1-2-21-16(20)14-5-3-4-13-15(18-10-19(13)14)11-6-8-12(17)9-7-11;15-10-6-4-9(5-7-10)13-11-2-1-3-12(14(18)19)17(11)8-16-13;14-12-3-1-2-11(17-12)13(16-8-18)9-4-6-10(15)7-5-9;14-12-3-1-2-11-13(16-8-17(11)12)9-4-6-10(15)7-5-9;2*13-11-3-1-2-10(15-11)12(16)8-4-6-9(14)7-5-8;7-6-3-1-2-5(4-9)8-6;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-2-3;1-3-2;3*2-1-3;1-2;;1-5(2,3)4;;;/h3-10H,2H2,1H3;1-8H,(H,18,19);1-8,13H,(H,16,18);1-8H;1-7,12,16H;1-7H;1-4H;2-5H;1-4H2;3H,2H2,1H3;3H,1-2H3;1H2;1H,(H2,2,3);1H,(H,2,3);2H,1H3;1H;;;;1H2/q;;;;;;;-1;;;;;;;;;;+1;+2;/p-2
InChIKeyBUPDFVCIMLZALH-UHFFFAOYSA-L
XLogP20.25
TPSA427.68 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002686.01
LogP ≤ 520.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide with MolForge

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Related Compounds

potassium;1-bromo-4-fluorobenzene;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;hydroxide
CID 158807360
CID 159143205
CID 159143205
CID 160098087
CID 160098087
6-Bromoimidazo[1,5-a]pyridine-5-carbaldehyde;(6-bromoimidazo[1,5-a]pyridin-5-yl)-cyclohexylmethanol;(6-bromoimidazo[1,5-a]pyridin-5-yl)methanol;ethyl 6-(aminomethyl)-3-bromopyridine-2-carboxylate;ethyl 3-bromo-6-(formamidomethyl)pyridine-2-carboxylate;ethyl 6-bromoimidazo[1,5-a]pyridine-5-carboxylate;methane
CID 160188406
CID 161154067
CID 161154067

Frequently Asked Questions

What is the IUPAC name of magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide?
The IUPAC name of magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide (CID 160677957) is magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide.
What is the SMILES notation for magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide?
The canonical SMILES for magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide is C1CCOC1.CCO.CCOC(=O)c1cccc2c(-c3ccc(F)cc3)ncn12.CO.CPC.ClCCl.Fc1cc[c-]cc1.Fc1ccc(-c2ncn3c(Br)cccc23)cc1.NC=O.O=C(O)c1cccc2c(-c3ccc(F)cc3)ncn12.O=C(c1ccc(F)cc1)c1cccc(Br)n1.O=CNC(c1ccc(F)cc1)c1cccc(Br)n1.O=CO.O=Cc1cccc(Br)n1.O=P(Cl)(Cl)Cl.OC(c1ccc(F)cc1)c1cccc(Br)n1.[Br-].[K+].[Mg+2].[OH-].
What is the InChIKey of magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide?
The InChIKey is BUPDFVCIMLZALH-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13FN2O2.C14H9FN2O2.C13H10BrFN2O.C13H8BrFN2.C12H9BrFNO.C12H7BrFNO.C6H4BrNO.C6H4F.C4H8O.C2H6O.C2H7P.CH2Cl2.CH3NO.CH2O2.CH4O.BrH.Cl3OP.K.Mg.H2O/c1-2-21-16(20)14-5-3-4-13-15(18-10-19(13)14)11-6-8-12(17)9-7-11;15-10-6-4-9(5-7-10)13-11-2-1-3-12(14(18)19)17(11)8-16-13;14-12-3-1-2-11(17-12)13(16-8-18)9-4-6-10(15)7-5-9;14-12-3-1-2-11-13(16-8-17(11)12)9-4-6-10(15)7-5-9;2*13-11-3-1-2-10(15-11)12(16)8-4-6-9(14)7-5-8;7-6-3-1-2-5(4-9)8-6;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-2-3;1-3-2;3*2-1-3;1-2;;1-5(2,3)4;;;/h3-10H,2H2,1H3;1-8H,(H,18,19);1-8,13H,(H,16,18);1-8H;1-7,12,16H;1-7H;1-4H;2-5H;1-4H2;3H,2H2,1H3;3H,1-2H3;1H2;1H,(H2,2,3);1H,(H,2,3);2H,1H3;1H;;;;1H2/q;;;;;;;-1;;;;;;;;;;+1;+2;/p-2.
What are the key properties of magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide?
magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide has a molecular weight of 2686.01 g/mol, XLogP of 20.25, 15 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;potassium;5-bromo-1-(4-fluorophenyl)imidazo[1,5-a]pyridine;6-bromopyridine-2-carbaldehyde;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanol;(6-bromo-2-pyridinyl)-(4-fluorophenyl)methanone;N-[(6-bromo-2-pyridinyl)-(4-fluorophenyl)methyl]formamide;dichloromethane;dimethylphosphane;ethanol;ethyl 1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylate;fluorobenzene;1-(4-fluorophenyl)imidazo[1,5-a]pyridine-5-carboxylic acid;formamide;formic acid;methanol;oxolane;phosphoryl trichloride;bromide;hydroxide is sourced from PubChem (CID 160677957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).