3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine

C12H17BrN4 — CID 82061806

IUPAC3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
SMILESCC(C)c1nc2cc(Br)cnc2n1CCCN
InChIInChI=1S/C12H17BrN4/c1-8(2)11-16-10-6-9(13)7-15-12(10)17(11)5-3-4-14/h6-8H,3-5,14H2,1-2H3
InChIKeyUJEGQYYLYXEUQQ-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.67
Rot. Bonds4

About 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine

3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine (PubChem CID 82061806) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
PubChem CID82061806
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC Name3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
SMILESCC(C)c1nc2cc(Br)cnc2n1CCCN
InChIInChI=1S/C12H17BrN4/c1-8(2)11-16-10-6-9(13)7-15-12(10)17(11)5-3-4-14/h6-8H,3-5,14H2,1-2H3
InChIKeyUJEGQYYLYXEUQQ-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 93210060
6-bromo-2-(1-chloroethyl)-3-(2-pyridin-4-ylethyl)imidazo[4,5-b]pyridine
CID 79280609
4-(6-methyl-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061624
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856
6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
CID 79305894
3-[2-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83112602
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79302117
6-bromo-2-(1-chloroethyl)-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridine
CID 79301882
6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 113487873
(6-bromo-3-methylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 83899074
6-bromo-2-(1-chloroethyl)-3-(2-cyclopentyloxyethyl)imidazo[4,5-b]pyridine
CID 79279906

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine?
The IUPAC name of 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine (CID 82061806) is 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine?
The canonical SMILES for 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine is CC(C)c1nc2cc(Br)cnc2n1CCCN.
What is the InChIKey of 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine?
The InChIKey is UJEGQYYLYXEUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c1-8(2)11-16-10-6-9(13)7-15-12(10)17(11)5-3-4-14/h6-8H,3-5,14H2,1-2H3.
What are the key properties of 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine?
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine has a molecular weight of 297.20 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine is sourced from PubChem (CID 82061806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).