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

C24H23BrClN5O — CID 46866786

IUPAC6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(Cl)cc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H23BrClN5O/c1-32-19-8-4-17(5-9-19)23-28-21-22(20(25)14-27-24(21)29-23)31-12-10-30(11-13-31)15-16-2-6-18(26)7-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,29)
InChIKeyHVZNKPWGHREOMW-UHFFFAOYSA-N
MW512.84 g/mol
LogP5.37
Rot. Bonds5

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

6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 46866786) has the molecular formula C24H23BrClN5O and a molecular weight of 512.84 g/mol. Its IUPAC name is 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID46866786
Molecular FormulaC24H23BrClN5O
Molecular Weight512.84 g/mol
Exact Mass511.08
IUPAC Name6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(Cl)cc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H23BrClN5O/c1-32-19-8-4-17(5-9-19)23-28-21-22(20(25)14-27-24(21)29-23)31-12-10-30(11-13-31)15-16-2-6-18(26)7-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,29)
InChIKeyHVZNKPWGHREOMW-UHFFFAOYSA-N
XLogP5.37
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.84
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 46866786) is 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccc(Cl)cc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is HVZNKPWGHREOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClN5O/c1-32-19-8-4-17(5-9-19)23-28-21-22(20(25)14-27-24(21)29-23)31-12-10-30(11-13-31)15-16-2-6-18(26)7-3-16/h2-9,14H,10-13,15H2,1H3,(H,27,28,29).
What are the key properties of 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 512.84 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 46866786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).