N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine

C24H33BrN6O — CID 70689442

About N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine

N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 70689442) has the molecular formula C24H33BrN6O and a molecular weight of 501.47 g/mol. Its IUPAC name is N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine
• PubChem CID: 70689442
• Molecular Formula: C24H33BrN6O
• Molecular Weight: 501.47 g/mol
• Exact Mass: 500.19
• IUPAC Name: N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine
• SMILES: CN(C)CCCNc1c(Br)cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c12
• InChI: InChI=1S/C24H33BrN6O/c1-30(2)12-6-11-26-21-20(25)17-27-24-22(21)28-23(29-24)18-7-9-19(10-8-18)32-16-15-31-13-4-3-5-14-31/h7-10,17H,3-6,11-16H2,1-2H3,(H2,26,27,28,29)
• InChIKey: WMTSXEYIPRFKBI-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 69.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine?

The IUPAC name of N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine (CID 70689442) is N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine.

What is the SMILES notation for N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine?

The canonical SMILES for N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1c(Br)cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c12.

What is the InChIKey of N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine?

The InChIKey is WMTSXEYIPRFKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN6O/c1-30(2)12-6-11-26-21-20(25)17-27-24-22(21)28-23(29-24)18-7-9-19(10-8-18)32-16-15-31-13-4-3-5-14-31/h7-10,17H,3-6,11-16H2,1-2H3,(H2,26,27,28,29).

What are the key properties of N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine?

N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 501.47 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 70689442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).