6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine

C15H13BrN4O — CID 79279142

IUPAC6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1C1CCOc2ccccc21
InChIInChI=1S/C15H13BrN4O/c16-9-7-11-14(18-8-9)20(15(17)19-11)12-5-6-21-13-4-2-1-3-10(12)13/h1-4,7-8,12H,5-6H2,(H2,17,19)
InChIKeyAVQBMZPMMHIIQK-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.15
Rot. Bonds1

About 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79279142) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79279142
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1C1CCOc2ccccc21
InChIInChI=1S/C15H13BrN4O/c16-9-7-11-14(18-8-9)20(15(17)19-11)12-5-6-21-13-4-2-1-3-10(12)13/h1-4,7-8,12H,5-6H2,(H2,17,19)
InChIKeyAVQBMZPMMHIIQK-UHFFFAOYSA-N
XLogP3.15
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79273247
3-(3,4-dihydro-2H-chromen-4-yl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81140893
7-chloro-1-(3,4-dihydro-2H-chromen-4-yl)benzimidazol-2-amine
CID 62366094
1-(3,4-dihydro-2H-chromen-4-yl)-4-fluorobenzimidazol-2-amine
CID 62366268
6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine
CID 79302513
2-(chloromethyl)-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridine
CID 79274371
6-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
CID 79274894
6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 79279878
6-bromo-3-(3-ethyl-2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-amine
CID 79302585
6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)-1H-benzimidazole-2-thione
CID 62365742
2-[3-(3,4-dihydro-2H-chromen-4-yl)imidazol-4-yl]ethanamine
CID 114720098
6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79305908

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine (CID 79279142) is 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1C1CCOc2ccccc21.
What is the InChIKey of 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is AVQBMZPMMHIIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c16-9-7-11-14(18-8-9)20(15(17)19-11)12-5-6-21-13-4-2-1-3-10(12)13/h1-4,7-8,12H,5-6H2,(H2,17,19).
What are the key properties of 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 345.20 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3,4-dihydro-2H-chromen-4-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79279142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).