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

C24H25BrN6O2S — CID 46868506

IUPAC4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(S(=O)(=O)c5ccccc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H25BrN6O2S/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)30-12-14-31(15-13-30)34(32,33)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28)
InChIKeyLLNXIEBQULOTRS-UHFFFAOYSA-N
MW541.48 g/mol
LogP3.96
Rot. Bonds5

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

4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline (PubChem CID 46868506) has the molecular formula C24H25BrN6O2S and a molecular weight of 541.48 g/mol. Its IUPAC name is 4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
PubChem CID46868506
Molecular FormulaC24H25BrN6O2S
Molecular Weight541.48 g/mol
Exact Mass540.09
IUPAC Name4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(S(=O)(=O)c5ccccc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H25BrN6O2S/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)30-12-14-31(15-13-30)34(32,33)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,26,27,28)
InChIKeyLLNXIEBQULOTRS-UHFFFAOYSA-N
XLogP3.96
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.48
LogP ≤ 53.96
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-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-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

Related Compounds

3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-(dimethylamino)-N-methylbenzenesulfonamide
CID 54675374
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)pyridin-3-sulfonamide
CID 57345328
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69809726
N-[(3S)-1-(2,2-dimethylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811602
N-[(3S,5S)-5-methyl-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811936
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69812740
N-methyl-3-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 70649109
Imidazo[1,2-a]pyridine deriv. 4d
CID 6539033
6-bromo-N-methyl-2-(4-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 70687384
2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
CID 70689444
[4-(6-Bromo-7-piperazin-1-yl-3H-imidazo[4,5-b]pyridin-2-yl)-phenyl]-dimethylamine
CID 23585419
4-(6-bromo-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzenamine
CID 44433683

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline (CID 46868506) is 4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(S(=O)(=O)c5ccccc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
The InChIKey is LLNXIEBQULOTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O2S/c1-29(2)18-10-8-17(9-11-18)23-27-21-22(20(25)16-26-24(21)28-23)30-12-14-31(15-13-30)34(32,33)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-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline?
4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline has a molecular weight of 541.48 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(benzenesulfonyl)piperazin-1-yl]-6-bromo-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 46868506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).