2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine

C14H18ClN3O — CID 114109023

IUPAC2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(CC3(C)CCC3)c2n1
InChIInChI=1S/C14H18ClN3O/c1-14(6-3-7-14)9-18-11(8-15)16-10-4-5-12(19-2)17-13(10)18/h4-5H,3,6-9H2,1-2H3
InChIKeyRMQDKZNKNKTJHG-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.37
Rot. Bonds4

About 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine

2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 114109023) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
PubChem CID114109023
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine
SMILESCOc1ccc2nc(CCl)n(CC3(C)CCC3)c2n1
InChIInChI=1S/C14H18ClN3O/c1-14(6-3-7-14)9-18-11(8-15)16-10-4-5-12(19-2)17-13(10)18/h4-5H,3,6-9H2,1-2H3
InChIKeyRMQDKZNKNKTJHG-UHFFFAOYSA-N
XLogP3.37
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.37
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-(chloromethyl)-5-methoxy-3-[(2-methylthiolan-2-yl)methyl]imidazo[4,5-b]pyridine
CID 115323188
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]acetamide
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2-(chloromethyl)-5-methoxy-3-(3-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323003
2-(chloromethyl)-5-methoxy-3-(2-pyrrolidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 115323195
2-(2-chloroethyl)-5-methoxy-3-(1-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 115322925
2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 115322890
2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
CID 79306658
2-(chloromethyl)-5-methoxy-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 115322993
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536
2-(chloromethyl)-5-methoxy-3-[2-(1-methylimidazol-2-yl)ethyl]imidazo[4,5-b]pyridine
CID 115322937
2-[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N-(2-methoxyethyl)-N-methylethanamine
CID 115322997
2-(chloromethyl)-5-methoxy-3-(4-propan-2-yloxybutyl)imidazo[4,5-b]pyridine
CID 106005161

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine (CID 114109023) is 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine is COc1ccc2nc(CCl)n(CC3(C)CCC3)c2n1.
What is the InChIKey of 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is RMQDKZNKNKTJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-14(6-3-7-14)9-18-11(8-15)16-10-4-5-12(19-2)17-13(10)18/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine?
2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 279.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-methoxy-3-[(1-methylcyclobutyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 114109023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).