methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane

C40H38BBrF6N4O6 — CID 167654627

IUPACmethyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(Cc2ccc(C(F)(F)F)cc2)OC1(C)C.COC(=O)c1ncn2cccc(Br)c12.COC(=O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C17H13F3N2O2.C14H18BF3O2.C9H7BrN2O2/c1-24-16(23)14-15-12(3-2-8-22(15)10-21-14)9-11-4-6-13(7-5-11)17(18,19)20;1-12(2)13(3,4)20-15(19-12)9-10-5-7-11(8-6-10)14(16,17)18;1-14-9(13)7-8-6(10)3-2-4-12(8)5-11-7/h2-8,10H,9H2,1H3;5-8H,9H2,1-4H3;2-5H,1H3
InChIKeyRBOLORLDZJWPCO-UHFFFAOYSA-N
MW875.47 g/mol
LogP9.49
Rot. Bonds6

About methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane

methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane (PubChem CID 167654627) has the molecular formula C40H38BBrF6N4O6 and a molecular weight of 875.47 g/mol. Its IUPAC name is methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Namemethyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
PubChem CID167654627
Molecular FormulaC40H38BBrF6N4O6
Molecular Weight875.47 g/mol
Exact Mass874.20
IUPAC Namemethyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(Cc2ccc(C(F)(F)F)cc2)OC1(C)C.COC(=O)c1ncn2cccc(Br)c12.COC(=O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C17H13F3N2O2.C14H18BF3O2.C9H7BrN2O2/c1-24-16(23)14-15-12(3-2-8-22(15)10-21-14)9-11-4-6-13(7-5-11)17(18,19)20;1-12(2)13(3,4)20-15(19-12)9-10-5-7-11(8-6-10)14(16,17)18;1-14-9(13)7-8-6(10)3-2-4-12(8)5-11-7/h2-8,10H,9H2,1H3;5-8H,9H2,1-4H3;2-5H,1H3
InChIKeyRBOLORLDZJWPCO-UHFFFAOYSA-N
XLogP9.49
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.47
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane 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

PSJ-2510-up
CID 139095417
tert-butyl 2-[[(3S)-3-[1-[4-(4-methoxycarbonylphenyl)phenyl]-2-oxo-6-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methyl]-3-methylimidazole-4-carboxylate
CID 153545964
Methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 155391478
Ethyl 7-ethyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 7-ethyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 157510002
Methyl 4-[6-bromo-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate;methyl 4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 157792846
Ethyl 2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyridine-3-carboxylate;2,2,2-trifluoroethyl 2-(4-methoxycarbonylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 158303914
Methyl 4-[6-bromo-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate;methyl 4-[6-ethenyl-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate
CID 158906154
1-Bromo-6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methane;methanol;methyl 6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 159525604
6-Ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylic acid;methyl 6-ethyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 159804187
methyl 4-[6-bromo-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate;methyl 2-methyl-4-[8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]benzoate
CID 160050486
1-[4-[6-Bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]propan-1-one;methyl 2-methyl-4-[3-(3-methyl-4-propanoylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 161532706
Methyl 4-[6-bromo-8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoate;methyl 2-methyl-4-[8-[(2-methylpropan-2-yl)oxycarbonyl-(3,3,3-trifluoropropyl)amino]-6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl]benzoate
CID 161881477

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane?
The IUPAC name of methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane (CID 167654627) is methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane.
What is the SMILES notation for methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane?
The canonical SMILES for methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane is CC1(C)OB(Cc2ccc(C(F)(F)F)cc2)OC1(C)C.COC(=O)c1ncn2cccc(Br)c12.COC(=O)c1ncn2cccc(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane?
The InChIKey is RBOLORLDZJWPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2.C14H18BF3O2.C9H7BrN2O2/c1-24-16(23)14-15-12(3-2-8-22(15)10-21-14)9-11-4-6-13(7-5-11)17(18,19)20;1-12(2)13(3,4)20-15(19-12)9-10-5-7-11(8-6-10)14(16,17)18;1-14-9(13)7-8-6(10)3-2-4-12(8)5-11-7/h2-8,10H,9H2,1H3;5-8H,9H2,1-4H3;2-5H,1H3.
What are the key properties of methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane?
methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane has a molecular weight of 875.47 g/mol, XLogP of 9.49, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromoimidazo[1,5-a]pyridine-1-carboxylate;methyl 8-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine-1-carboxylate;4,4,5,5-tetramethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 167654627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).