2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide

C25H27BrN8O — CID 46868503

IUPAC2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5cccnc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H27BrN8O/c1-32(2)19-7-5-17(6-8-19)24-30-22-23(20(26)15-28-25(22)31-24)34-12-10-33(11-13-34)16-21(35)29-18-4-3-9-27-14-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,35)(H,28,30,31)
InChIKeyTTWPXJKGYHYGKG-UHFFFAOYSA-N
MW535.45 g/mol
LogP3.61
Rot. Bonds6

About 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide

2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide (PubChem CID 46868503) has the molecular formula C25H27BrN8O and a molecular weight of 535.45 g/mol. Its IUPAC name is 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide
PubChem CID46868503
Molecular FormulaC25H27BrN8O
Molecular Weight535.45 g/mol
Exact Mass534.15
IUPAC Name2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5cccnc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H27BrN8O/c1-32(2)19-7-5-17(6-8-19)24-30-22-23(20(26)15-28-25(22)31-24)34-12-10-33(11-13-34)16-21(35)29-18-4-3-9-27-14-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,35)(H,28,30,31)
InChIKeyTTWPXJKGYHYGKG-UHFFFAOYSA-N
XLogP3.61
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide 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

1H-Pyrrolo(3,2-c)pyridine-1-acetamide, 4-(2-methyl-4-pyridinyl)-N-(5-(2-pyrazinyl)-2-pyridinyl)-
CID 121280694
Bay-985
CID 145925685
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156596354
9-(2-chloranyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156596356
3,3,3-trifluoro-1-[4-[[2-[[6-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]propan-1-one
CID 129245623
1-[4-[[2-[[6-[2-(dimethylamino)pyridin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 137479140
6-(4-bromophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538777
1-[4-[4-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CID 164620868
2-(3-aminophenyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
CID 70689444
2-(2-amino-4-pyridinyl)-6-bromo-N-methyl-1H-imidazo[4,5-b]pyridin-7-amine
CID 70695756
8-Bromo-5-methyl-2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3,5-dihydro-pyrido[3,4-b][1,4]diazepin-4-one
CID 10004469
2-[6-Methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-acetamide
CID 10070588

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide (CID 46868503) is 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide is CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(CC(=O)Nc5cccnc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide?
The InChIKey is TTWPXJKGYHYGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN8O/c1-32(2)19-7-5-17(6-8-19)24-30-22-23(20(26)15-28-25(22)31-24)34-12-10-33(11-13-34)16-21(35)29-18-4-3-9-27-14-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,35)(H,28,30,31).
What are the key properties of 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide?
2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide has a molecular weight of 535.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-bromo-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 46868503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).