6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

C₂₀H₂₄BrN₅O₂ — CID 70689445

About 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70689445) has the molecular formula C₂₀H₂₄BrN₅O₂ and a molecular weight of 446.35 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 70689445
• Molecular Formula: C₂₀H₂₄BrN₅O₂
• Molecular Weight: 446.35 g/mol
• Exact Mass: 445.11
• IUPAC Name: 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
• SMILES: CNc1c(Br)cnc2nc(-c3ccc(OCCCN4CCOCC4)cc3)[nH]c12
• InChI: InChI=1S/C20H24BrN5O2/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)28-10-2-7-26-8-11-27-12-9-26/h3-6,13H,2,7-12H2,1H3,(H2,22,23,24,25)
• InChIKey: WSBFFVQWZREUMG-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 75.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.35
LogP ≤ 5	3.53
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 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 70689445) is 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3ccc(OCCCN4CCOCC4)cc3)[nH]c12.

What is the InChIKey of 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The InChIKey is WSBFFVQWZREUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-3-5-15(6-4-14)28-10-2-7-26-8-11-27-12-9-26/h3-6,13H,2,7-12H2,1H3,(H2,22,23,24,25).

What are the key properties of 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?

6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 446.35 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70689445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 70689445 — identifiers, structure, computed properties (public domain)

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