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

C24H26BrN7 — CID 46868649

IUPAC4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccncc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H26BrN7/c1-30(2)19-5-3-18(4-6-19)23-28-21-22(20(25)15-27-24(21)29-23)32-13-11-31(12-14-32)16-17-7-9-26-10-8-17/h3-10,15H,11-14,16H2,1-2H3,(H,27,28,29)
InChIKeyMISIVIAMAATYRA-UHFFFAOYSA-N
MW492.43 g/mol
LogP4.17
Rot. Bonds5

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

4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline (PubChem CID 46868649) has the molecular formula C24H26BrN7 and a molecular weight of 492.43 g/mol. Its IUPAC name is 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
PubChem CID46868649
Molecular FormulaC24H26BrN7
Molecular Weight492.43 g/mol
Exact Mass491.14
IUPAC Name4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccncc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H26BrN7/c1-30(2)19-5-3-18(4-6-19)23-28-21-22(20(25)15-27-24(21)29-23)32-13-11-31(12-14-32)16-17-7-9-26-10-8-17/h3-10,15H,11-14,16H2,1-2H3,(H,27,28,29)
InChIKeyMISIVIAMAATYRA-UHFFFAOYSA-N
XLogP4.17
TPSA64.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline (CID 46868649) is 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5ccncc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The InChIKey is MISIVIAMAATYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN7/c1-30(2)19-5-3-18(4-6-19)23-28-21-22(20(25)15-27-24(21)29-23)32-13-11-31(12-14-32)16-17-7-9-26-10-8-17/h3-10,15H,11-14,16H2,1-2H3,(H,27,28,29).
What are the key properties of 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline has a molecular weight of 492.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 46868649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).