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

C15H15BrN4O — CID 79279143

IUPAC6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1CCCOc1ccccc1
InChIInChI=1S/C15H15BrN4O/c16-11-9-13-14(18-10-11)20(15(17)19-13)7-4-8-21-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H2,17,19)
InChIKeyKEBGNFCQUUZABR-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.25
Rot. Bonds5

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

6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79279143) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79279143
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cc(Br)cnc2n1CCCOc1ccccc1
InChIInChI=1S/C15H15BrN4O/c16-11-9-13-14(18-10-11)20(15(17)19-13)7-4-8-21-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H2,17,19)
InChIKeyKEBGNFCQUUZABR-UHFFFAOYSA-N
XLogP3.25
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
CID 79305894
6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 113487873
1-[3-(4-bromophenoxy)propyl]benzimidazol-2-amine
CID 2990608
6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306336
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
5-methyl-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 62378956
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856
6-bromo-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106419770
3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 145420127
6-bromo-3-[2-(methoxymethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 79306056

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine (CID 79279143) is 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine is Nc1nc2cc(Br)cnc2n1CCCOc1ccccc1.
What is the InChIKey of 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is KEBGNFCQUUZABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c16-11-9-13-14(18-10-11)20(15(17)19-13)7-4-8-21-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H2,17,19).
What are the key properties of 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 347.22 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79279143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).