3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine

C15H22BrClN4 — CID 79280592

IUPAC3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C15H22BrClN4/c1-3-20(4-2)8-5-9-21-14(6-7-17)19-13-10-12(16)11-18-15(13)21/h10-11H,3-9H2,1-2H3
InChIKeyDYAAHMYWYRQOBA-UHFFFAOYSA-N
MW373.73 g/mol
LogP3.71
Rot. Bonds8

About 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine

3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine (PubChem CID 79280592) has the molecular formula C15H22BrClN4 and a molecular weight of 373.73 g/mol. Its IUPAC name is 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
PubChem CID79280592
Molecular FormulaC15H22BrClN4
Molecular Weight373.73 g/mol
Exact Mass372.07
IUPAC Name3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C15H22BrClN4/c1-3-20(4-2)8-5-9-21-14(6-7-17)19-13-10-12(16)11-18-15(13)21/h10-11H,3-9H2,1-2H3
InChIKeyDYAAHMYWYRQOBA-UHFFFAOYSA-N
XLogP3.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylethanamine
CID 79302167
6-bromo-2-(2-chloroethyl)-3-(3-ethoxypropyl)imidazo[4,5-b]pyridine
CID 79302095
N-[2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79302404
6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 103008938
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094
2-[6-bromo-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79302121
6-bromo-2-(2-chloroethyl)-3-(2-imidazol-1-ylethyl)imidazo[4,5-b]pyridine
CID 79301903
6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
CID 102906922
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
6-bromo-2-(2-chloroethyl)-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-b]pyridine
CID 106303086
4-[2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
CID 79302623
6-bromo-2-(2-chloroethyl)-3-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79302336

Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine (CID 79280592) is 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine is CCN(CC)CCCn1c(CCCl)nc2cc(Br)cnc21.
What is the InChIKey of 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine?
The InChIKey is DYAAHMYWYRQOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN4/c1-3-20(4-2)8-5-9-21-14(6-7-17)19-13-10-12(16)11-18-15(13)21/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine?
3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine has a molecular weight of 373.73 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 79280592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).