4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

C19H18BrN7O — CID 135335953

IUPAC4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1cccc(Br)n1
InChIInChI=1S/C19H18BrN7O/c1-11-23-14-6-5-13(12-9-16(21)26-17(22)10-12)24-19(14)27(11)7-8-28-18-4-2-3-15(20)25-18/h2-6,9-10H,7-8H2,1H3,(H4,21,22,26)
InChIKeyIOUKAQLHORTKRT-UHFFFAOYSA-N
MW440.31 g/mol
LogP3.20
Rot. Bonds5

About 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (PubChem CID 135335953) has the molecular formula C19H18BrN7O and a molecular weight of 440.31 g/mol. Its IUPAC name is 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
PubChem CID135335953
Molecular FormulaC19H18BrN7O
Molecular Weight440.31 g/mol
Exact Mass439.08
IUPAC Name4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
SMILESCc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1cccc(Br)n1
InChIInChI=1S/C19H18BrN7O/c1-11-23-14-6-5-13(12-9-16(21)26-17(22)10-12)24-19(14)27(11)7-8-28-18-4-2-3-15(20)25-18/h2-6,9-10H,7-8H2,1H3,(H4,21,22,26)
InChIKeyIOUKAQLHORTKRT-UHFFFAOYSA-N
XLogP3.20
TPSA117.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The IUPAC name of 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine (CID 135335953) is 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine.
What is the SMILES notation for 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The canonical SMILES for 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is Cc1nc2ccc(-c3cc(N)nc(N)c3)nc2n1CCOc1cccc(Br)n1.
What is the InChIKey of 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
The InChIKey is IOUKAQLHORTKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN7O/c1-11-23-14-6-5-13(12-9-16(21)26-17(22)10-12)24-19(14)27(11)7-8-28-18-4-2-3-15(20)25-18/h2-6,9-10H,7-8H2,1H3,(H4,21,22,26).
What are the key properties of 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine?
4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine has a molecular weight of 440.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine is sourced from PubChem (CID 135335953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).