lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol

C62H58BrF8LiN6O6 — CID 158024445

IUPAClithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol
SMILESCC1(C)OCC(Cn2cc(C(=O)C(F)(F)F)c3ccccc32)O1.CC1(C)OCC(Cn2cc(C(O)(c3ccn4c(-c5ccc(F)cc5)ncc4c3)C(F)(F)F)c3ccccc32)O1.Fc1ccc(-c2ncc3cc(Br)ccn23)cc1.[CH2-]CCC.[Li+]
InChIInChI=1S/C29H25F4N3O3.C16H16F3NO3.C13H8BrFN2.C4H9.Li/c1-27(2)38-17-22(39-27)15-35-16-24(23-5-3-4-6-25(23)35)28(37,29(31,32)33)19-11-12-36-21(13-19)14-34-26(36)18-7-9-20(30)10-8-18;1-15(2)22-9-10(23-15)7-20-8-12(14(21)16(17,18)19)11-5-3-4-6-13(11)20;14-10-5-6-17-12(7-10)8-16-13(17)9-1-3-11(15)4-2-9;1-3-4-2;/h3-14,16,22,37H,15,17H2,1-2H3;3-6,8,10H,7,9H2,1-2H3;1-8H;1,3-4H2,2H3;/q;;;-1;+1
InChIKeySWDNPYAGIVJXPK-UHFFFAOYSA-N
MW1222.01 g/mol
LogP12.11
Rot. Bonds10

About lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol

lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol (PubChem CID 158024445) has the molecular formula C62H58BrF8LiN6O6 and a molecular weight of 1222.01 g/mol. Its IUPAC name is lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol.

Molecular Properties

Compound Namelithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol
PubChem CID158024445
Molecular FormulaC62H58BrF8LiN6O6
Molecular Weight1222.01 g/mol
Exact Mass1220.36
IUPAC Namelithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol
SMILESCC1(C)OCC(Cn2cc(C(=O)C(F)(F)F)c3ccccc32)O1.CC1(C)OCC(Cn2cc(C(O)(c3ccn4c(-c5ccc(F)cc5)ncc4c3)C(F)(F)F)c3ccccc32)O1.Fc1ccc(-c2ncc3cc(Br)ccn23)cc1.[CH2-]CCC.[Li+]
InChIInChI=1S/C29H25F4N3O3.C16H16F3NO3.C13H8BrFN2.C4H9.Li/c1-27(2)38-17-22(39-27)15-35-16-24(23-5-3-4-6-25(23)35)28(37,29(31,32)33)19-11-12-36-21(13-19)14-34-26(36)18-7-9-20(30)10-8-18;1-15(2)22-9-10(23-15)7-20-8-12(14(21)16(17,18)19)11-5-3-4-6-13(11)20;14-10-5-6-17-12(7-10)8-16-13(17)9-1-3-11(15)4-2-9;1-3-4-2;/h3-14,16,22,37H,15,17H2,1-2H3;3-6,8,10H,7,9H2,1-2H3;1-8H;1,3-4H2,2H3;/q;;;-1;+1
InChIKeySWDNPYAGIVJXPK-UHFFFAOYSA-N
XLogP12.11
TPSA118.68 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.01
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol;3-[3-[2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]-1-hydroxyethyl]indol-1-yl]propane-1,2-diol
CID 159422257
dilithium;8-bromo-1-ethyl-5-fluoroindolizine;butane;1-(diethoxymethyl)imidazole;1-ethyl-5-fluoroindolizine-8-carbaldehyde;(1-ethyl-5-fluoroindolizin-8-yl)-(3H-pyrrol-2-yl)methanol;methyl formate;molecular hydrogen
CID 158981834

Frequently Asked Questions

What is the IUPAC name of lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol?
The IUPAC name of lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol (CID 158024445) is lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol.
What is the SMILES notation for lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol?
The canonical SMILES for lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol is CC1(C)OCC(Cn2cc(C(=O)C(F)(F)F)c3ccccc32)O1.CC1(C)OCC(Cn2cc(C(O)(c3ccn4c(-c5ccc(F)cc5)ncc4c3)C(F)(F)F)c3ccccc32)O1.Fc1ccc(-c2ncc3cc(Br)ccn23)cc1.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol?
The InChIKey is SWDNPYAGIVJXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F4N3O3.C16H16F3NO3.C13H8BrFN2.C4H9.Li/c1-27(2)38-17-22(39-27)15-35-16-24(23-5-3-4-6-25(23)35)28(37,29(31,32)33)19-11-12-36-21(13-19)14-34-26(36)18-7-9-20(30)10-8-18;1-15(2)22-9-10(23-15)7-20-8-12(14(21)16(17,18)19)11-5-3-4-6-13(11)20;14-10-5-6-17-12(7-10)8-16-13(17)9-1-3-11(15)4-2-9;1-3-4-2;/h3-14,16,22,37H,15,17H2,1-2H3;3-6,8,10H,7,9H2,1-2H3;1-8H;1,3-4H2,2H3;/q;;;-1;+1.
What are the key properties of lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol?
lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol has a molecular weight of 1222.01 g/mol, XLogP of 12.11, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;7-bromo-3-(4-fluorophenyl)imidazo[1,5-a]pyridine;butane;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoroethanone;1-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]indol-3-yl]-2,2,2-trifluoro-1-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-7-yl]ethanol is sourced from PubChem (CID 158024445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).