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

C20H24BrN5O2 — CID 70689445

IUPAC6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OCCCN4CCOCC4)cc3)[nH]c12
InChIInChI=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)
InChIKeyWSBFFVQWZREUMG-UHFFFAOYSA-N
MW446.35 g/mol
LogP3.53
Rot. Bonds7

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 Name6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70689445
Molecular FormulaC20H24BrN5O2
Molecular Weight446.35 g/mol
Exact Mass445.11
IUPAC Name6-bromo-N-methyl-2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OCCCN4CCOCC4)cc3)[nH]c12
InChIInChI=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)
InChIKeyWSBFFVQWZREUMG-UHFFFAOYSA-N
XLogP3.53
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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).