2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine

C14H19ClN4 — CID 79301434

IUPAC2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2C1CCCN(C)C1
InChIInChI=1S/C14H19ClN4/c1-10-6-12-14(16-8-10)19(13(7-15)17-12)11-4-3-5-18(2)9-11/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyMONKHHNHAVGNJL-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.75
Rot. Bonds2

About 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine

2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 79301434) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID79301434
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCl)n2C1CCCN(C)C1
InChIInChI=1S/C14H19ClN4/c1-10-6-12-14(16-8-10)19(13(7-15)17-12)11-4-3-5-18(2)9-11/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyMONKHHNHAVGNJL-UHFFFAOYSA-N
XLogP2.75
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.75
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)-6-methyl-3-(4-propylcyclohexyl)imidazo[4,5-b]pyridine
CID 79279480
2-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
6-bromo-2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 79302252
2-(2-chloroethyl)-6-methyl-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79278922
2-(chloromethyl)-5-methyl-1-(1-methylpyrrolidin-3-yl)benzimidazole
CID 54949887
5-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-1-methylpiperidin-2-one
CID 79279303
5-bromo-2-(chloromethyl)-6-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 66086538
2-(chloromethyl)-3-(2-cyclopentyloxyethyl)-6-methylimidazo[4,5-b]pyridine
CID 79305999
3-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79278182
2-(2-chloroethyl)-3-(4,4-dimethylcyclohexyl)-6-methylimidazo[4,5-b]pyridine
CID 79278559
6-methyl-3-(1-methylpiperidin-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79293623
2-(chloromethyl)-6-methyl-3-[(1-methylcyclopentyl)methyl]imidazo[4,5-b]pyridine
CID 79306658

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine (CID 79301434) is 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCl)n2C1CCCN(C)C1.
What is the InChIKey of 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is MONKHHNHAVGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-10-6-12-14(16-8-10)19(13(7-15)17-12)11-4-3-5-18(2)9-11/h6,8,11H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 278.79 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79301434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).