6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

C22H24BrN7O — CID 46866895

IUPAC6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5nccn5C)CC4)c3[nH]2)cc1
InChIInChI=1S/C22H24BrN7O/c1-28-8-7-24-18(28)14-29-9-11-30(12-10-29)20-17(23)13-25-22-19(20)26-21(27-22)15-3-5-16(31-2)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,26,27)
InChIKeyCLFPAGLHVAKYPT-UHFFFAOYSA-N
MW482.39 g/mol
LogP3.45
Rot. Bonds5

About 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 46866895) has the molecular formula C22H24BrN7O and a molecular weight of 482.39 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID46866895
Molecular FormulaC22H24BrN7O
Molecular Weight482.39 g/mol
Exact Mass481.12
IUPAC Name6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5nccn5C)CC4)c3[nH]2)cc1
InChIInChI=1S/C22H24BrN7O/c1-28-8-7-24-18(28)14-29-9-11-30(12-10-29)20-17(23)13-25-22-19(20)26-21(27-22)15-3-5-16(31-2)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,26,27)
InChIKeyCLFPAGLHVAKYPT-UHFFFAOYSA-N
XLogP3.45
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine 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

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(4-methoxyphenyl)-6-phenyl-9H-purine
CID 11536774
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
1-(Aminomethyl)-N-(3-{[6-Bromo-2-(4-Methoxyphenyl)-3h-Imidazo[4,5-B]pyridin-7-Yl]amino}propyl)cyclopropanecarboxamide
CID 70689447
6-(2-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538766

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 46866895) is 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5nccn5C)CC4)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is CLFPAGLHVAKYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN7O/c1-28-8-7-24-18(28)14-29-9-11-30(12-10-29)20-17(23)13-25-22-19(20)26-21(27-22)15-3-5-16(31-2)6-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,25,26,27).
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 482.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-7-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 46866895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).