7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine

C14H21BrN4 — CID 178046894

IUPAC7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine
SMILESCc1nc2ncc(Br)cc2n1CCCCCCCN
InChIInChI=1S/C14H21BrN4/c1-11-18-14-13(9-12(15)10-17-14)19(11)8-6-4-2-3-5-7-16/h9-10H,2-8,16H2,1H3
InChIKeyRMCOFKWKYGCLHE-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.41
Rot. Bonds7

About 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine

7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine (PubChem CID 178046894) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine
PubChem CID178046894
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine
SMILESCc1nc2ncc(Br)cc2n1CCCCCCCN
InChIInChI=1S/C14H21BrN4/c1-11-18-14-13(9-12(15)10-17-14)19(11)8-6-4-2-3-5-7-16/h9-10H,2-8,16H2,1H3
InChIKeyRMCOFKWKYGCLHE-UHFFFAOYSA-N
XLogP3.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)ethoxy]propanoic acid
CID 178046893
6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522628
3-[(2S)-2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]pyrrolidin-1-yl]propan-1-ol
CID 178046803
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
7-bromo-1-butyl-3-chloropyrido[2,3-b]pyrazin-2-one
CID 137463664
2-[(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)methyl]morpholine
CID 178046873
4-(2-methylimidazo[4,5-c]pyridin-1-yl)butan-1-amine
CID 19864517
6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 178046830
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
CID 94758220
2-[3-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)cyclobutyl]oxyethanol
CID 178046918
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622

Frequently Asked Questions

What is the IUPAC name of 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine?
The IUPAC name of 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine (CID 178046894) is 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine.
What is the SMILES notation for 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine?
The canonical SMILES for 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine is Cc1nc2ncc(Br)cc2n1CCCCCCCN.
What is the InChIKey of 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine?
The InChIKey is RMCOFKWKYGCLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-11-18-14-13(9-12(15)10-17-14)19(11)8-6-4-2-3-5-7-16/h9-10H,2-8,16H2,1H3.
What are the key properties of 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine?
7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine has a molecular weight of 325.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)heptan-1-amine is sourced from PubChem (CID 178046894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).