2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine

C16H22ClN3 — CID 106005326

IUPAC2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(CCCC3CCCC3)c2n1
InChIInChI=1S/C16H22ClN3/c1-12-8-9-14-16(18-12)20(15(11-17)19-14)10-4-7-13-5-2-3-6-13/h8-9,13H,2-7,10-11H2,1H3
InChIKeyRBXHATDPNQKZIS-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.45
Rot. Bonds5

About 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine (PubChem CID 106005326) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine
PubChem CID106005326
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCl)n(CCCC3CCCC3)c2n1
InChIInChI=1S/C16H22ClN3/c1-12-8-9-14-16(18-12)20(15(11-17)19-14)10-4-7-13-5-2-3-6-13/h8-9,13H,2-7,10-11H2,1H3
InChIKeyRBXHATDPNQKZIS-UHFFFAOYSA-N
XLogP4.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215
2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine
CID 81135625
2-(chloromethyl)-5-methyl-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 81136168
2-(chloromethyl)-5-methyl-3-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 81136393
3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
CID 81136219
2-(chloromethyl)-3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 114248539
2-(chloromethyl)-5-methyl-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 81136392
2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
CID 106005281
ethyl 4-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]butanoate
CID 81135835
2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine
CID 81135677
2-(chloromethyl)-5-methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 81139474
2-(chloromethyl)-5-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 81135553

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine (CID 106005326) is 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine is Cc1ccc2nc(CCl)n(CCCC3CCCC3)c2n1.
What is the InChIKey of 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine?
The InChIKey is RBXHATDPNQKZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-12-8-9-14-16(18-12)20(15(11-17)19-14)10-4-7-13-5-2-3-6-13/h8-9,13H,2-7,10-11H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(3-cyclopentylpropyl)-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 106005326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).