methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate

C24H22BrN3O2 — CID 67713987

IUPACmethyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate
SMILESCCc1nc2c(C)c(Br)c(C)nc2n1-c1ccc(-c2ccccc2C(=O)OC)cc1
InChIInChI=1S/C24H22BrN3O2/c1-5-20-27-22-14(2)21(25)15(3)26-23(22)28(20)17-12-10-16(11-13-17)18-8-6-7-9-19(18)24(29)30-4/h6-13H,5H2,1-4H3
InChIKeyZRUXZZTWVLVYHZ-UHFFFAOYSA-N
MW464.36 g/mol
LogP5.82
Rot. Bonds4

About methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate

methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate (PubChem CID 67713987) has the molecular formula C24H22BrN3O2 and a molecular weight of 464.36 g/mol. Its IUPAC name is methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate
PubChem CID67713987
Molecular FormulaC24H22BrN3O2
Molecular Weight464.36 g/mol
Exact Mass463.09
IUPAC Namemethyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate
SMILESCCc1nc2c(C)c(Br)c(C)nc2n1-c1ccc(-c2ccccc2C(=O)OC)cc1
InChIInChI=1S/C24H22BrN3O2/c1-5-20-27-22-14(2)21(25)15(3)26-23(22)28(20)17-12-10-16(11-13-17)18-8-6-7-9-19(18)24(29)30-4/h6-13H,5H2,1-4H3
InChIKeyZRUXZZTWVLVYHZ-UHFFFAOYSA-N
XLogP5.82
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate with MolForge

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Related Compounds

methyl 2-[4-(5,6,7-trimethyl-2-propylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate
CID 150114158
2-[4-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzenesulfonamide
CID 70075216
methyl 2-[[5-(2-ethyl-5,6,7-trimethylimidazo[4,5-b]pyridin-3-yl)indol-1-yl]methyl]benzoate
CID 139617878
methyl 2-[4-[(6-chloro-7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoate
CID 21464282
methyl 2-ethoxy-3-[4-[2-(C-ethoxy-N-methoxycarbonylcarbonimidoyl)phenyl]phenyl]-7-methylbenzimidazole-4-carboxylate
CID 67616092
methyl 2-butyl-3-[4-[2-[(2-ethoxy-2-oxoethyl)amino]phenyl]phenyl]-7-methylbenzimidazole-4-carboxylate
CID 67564925
ethyl 2-(4-methoxycarbonylphenyl)benzoate
CID 170872162
methyl 2-[4-[(4,5-dicyano-2-methylimidazol-1-yl)methyl]phenyl]benzoate
CID 16679785
methyl 2-ethoxy-7-ethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate
CID 67579318
methyl 2-(ethylamino)-7-methyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]benzimidazole-4-carboxylate
CID 67579642
methyl 2-ethoxy-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]benzimidazole-4-carboxylate
CID 15654679
ethyl 2-(4-methylphenyl)benzoate
CID 10922668

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate?
The IUPAC name of methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate (CID 67713987) is methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate.
What is the SMILES notation for methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate?
The canonical SMILES for methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate is CCc1nc2c(C)c(Br)c(C)nc2n1-c1ccc(-c2ccccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate?
The InChIKey is ZRUXZZTWVLVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O2/c1-5-20-27-22-14(2)21(25)15(3)26-23(22)28(20)17-12-10-16(11-13-17)18-8-6-7-9-19(18)24(29)30-4/h6-13H,5H2,1-4H3.
What are the key properties of methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate?
methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate has a molecular weight of 464.36 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-bromo-2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]benzoate is sourced from PubChem (CID 67713987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).