2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine

C15H21ClN4 — CID 79294095

IUPAC2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C1CCCN(C)C1
InChIInChI=1S/C15H21ClN4/c1-11-6-8-17-15-14(11)18-13(5-7-16)20(15)12-4-3-9-19(2)10-12/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyHBJPLKYNFDMYED-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 79294095) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID79294095
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(CCCl)n2C1CCCN(C)C1
InChIInChI=1S/C15H21ClN4/c1-11-6-8-17-15-14(11)18-13(5-7-16)20(15)12-4-3-9-19(2)10-12/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyHBJPLKYNFDMYED-UHFFFAOYSA-N
XLogP2.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine (CID 79294095) is 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(CCCl)n2C1CCCN(C)C1.
What is the InChIKey of 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is HBJPLKYNFDMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11-6-8-17-15-14(11)18-13(5-7-16)20(15)12-4-3-9-19(2)10-12/h6,8,12H,3-5,7,9-10H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 292.81 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-7-methyl-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79294095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).