2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine

C15H22ClN3O — CID 115322826

IUPAC2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
SMILESCCC(C(C)C)n1c(C(C)Cl)nc2ccc(OC)nc21
InChIInChI=1S/C15H22ClN3O/c1-6-12(9(2)3)19-14(10(4)16)17-11-7-8-13(20-5)18-15(11)19/h7-10,12H,6H2,1-5H3
InChIKeyXFZMATLYSPVARI-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.35
Rot. Bonds5

About 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine

2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 115322826) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
PubChem CID115322826
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
SMILESCCC(C(C)C)n1c(C(C)Cl)nc2ccc(OC)nc21
InChIInChI=1S/C15H22ClN3O/c1-6-12(9(2)3)19-14(10(4)16)17-11-7-8-13(20-5)18-15(11)19/h7-10,12H,6H2,1-5H3
InChIKeyXFZMATLYSPVARI-UHFFFAOYSA-N
XLogP4.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.35
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-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
CID 115322528
2-(1-chloroethyl)-3-(1-cyclopropylpropan-2-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323065
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 115322579
2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 115322941
N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
CID 115322999
2-(1-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322892
2-(1-chloroethyl)-5-methoxy-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106432070
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide
CID 106278723
2-(chloromethyl)-3-hexan-2-yl-5-methoxyimidazo[4,5-b]pyridine
CID 115322969
5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407211
3-(1-ethoxypropan-2-yl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322330
5-methoxy-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 115322202

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine (CID 115322826) is 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine is CCC(C(C)C)n1c(C(C)Cl)nc2ccc(OC)nc21.
What is the InChIKey of 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is XFZMATLYSPVARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-6-12(9(2)3)19-14(10(4)16)17-11-7-8-13(20-5)18-15(11)19/h7-10,12H,6H2,1-5H3.
What are the key properties of 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine?
2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 295.81 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 115322826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).