4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline

C24H25BrN6 — CID 46868507

IUPAC4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(c5ccccc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H25BrN6/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28)
InChIKeyYRFSJKATAFOKCA-UHFFFAOYSA-N
MW477.41 g/mol
LogP4.78
Rot. Bonds4

About 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline

4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline (PubChem CID 46868507) has the molecular formula C24H25BrN6 and a molecular weight of 477.41 g/mol. Its IUPAC name is 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
PubChem CID46868507
Molecular FormulaC24H25BrN6
Molecular Weight477.41 g/mol
Exact Mass476.13
IUPAC Name4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(c5ccccc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H25BrN6/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28)
InChIKeyYRFSJKATAFOKCA-UHFFFAOYSA-N
XLogP4.78
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline (CID 46868507) is 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(c5ccccc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The InChIKey is YRFSJKATAFOKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)31-14-12-30(13-15-31)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28).
What are the key properties of 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline has a molecular weight of 477.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-7-(4-phenylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 46868507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).