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

C15H21ClN4 — CID 79294596

IUPAC2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCC(Cn2c(CCCl)nc3cccnc32)C1
InChIInChI=1S/C15H21ClN4/c1-19-9-3-4-12(10-19)11-20-14(6-7-16)18-13-5-2-8-17-15(13)20/h2,5,8,12H,3-4,6-7,9-11H2,1H3
InChIKeyWJAZKXLDLBYXTJ-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.55
Rot. Bonds4

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

2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 79294596) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID79294596
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCC(Cn2c(CCCl)nc3cccnc32)C1
InChIInChI=1S/C15H21ClN4/c1-19-9-3-4-12(10-19)11-20-14(6-7-16)18-13-5-2-8-17-15(13)20/h2,5,8,12H,3-4,6-7,9-11H2,1H3
InChIKeyWJAZKXLDLBYXTJ-UHFFFAOYSA-N
XLogP2.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.55
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)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
2-(2-chloroethyl)-6-methyl-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79278922
2-(2-chloroethyl)-7-methyl-1-[(1-methylpiperidin-3-yl)methyl]benzimidazole
CID 115553277
2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117164392
2-(2-chloroethyl)-3-(3-cyclopentylpropyl)imidazo[4,5-b]pyridine
CID 106005281
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
2-(chloromethyl)-5-methoxy-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 115322890
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine (CID 79294596) is 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine is CN1CCCC(Cn2c(CCCl)nc3cccnc32)C1.
What is the InChIKey of 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is WJAZKXLDLBYXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-19-9-3-4-12(10-19)11-20-14(6-7-16)18-13-5-2-8-17-15(13)20/h2,5,8,12H,3-4,6-7,9-11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 292.81 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).