6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

C12H15BrN4O — CID 79305908

IUPAC6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1CC1CCCCO1
InChIInChI=1S/C12H15BrN4O/c13-8-5-10-11(15-6-8)17(12(14)16-10)7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H2,14,16)
InChIKeyADYKKXOZILCOBQ-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.35
Rot. Bonds2

About 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79305908) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79305908
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1CC1CCCCO1
InChIInChI=1S/C12H15BrN4O/c13-8-5-10-11(15-6-8)17(12(14)16-10)7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H2,14,16)
InChIKeyADYKKXOZILCOBQ-UHFFFAOYSA-N
XLogP2.35
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine (CID 79305908) is 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1CC1CCCCO1.
What is the InChIKey of 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is ADYKKXOZILCOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c13-8-5-10-11(15-6-8)17(12(14)16-10)7-9-3-1-2-4-18-9/h5-6,9H,1-4,7H2,(H2,14,16).
What are the key properties of 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 311.18 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79305908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).