2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine

C17H19N5 — CID 154002304

IUPAC2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2nc3cccnc3n2CN2CCNCC2)cc1
InChIInChI=1S/C17H19N5/c1-2-5-14(6-3-1)16-20-15-7-4-8-19-17(15)22(16)13-21-11-9-18-10-12-21/h1-8,18H,9-13H2
InChIKeyLJEMLJSBPFACED-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.96
Rot. Bonds3

About 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine

2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 154002304) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID154002304
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2nc3cccnc3n2CN2CCNCC2)cc1
InChIInChI=1S/C17H19N5/c1-2-5-14(6-3-1)16-20-15-7-4-8-19-17(15)22(16)13-21-11-9-18-10-12-21/h1-8,18H,9-13H2
InChIKeyLJEMLJSBPFACED-UHFFFAOYSA-N
XLogP1.96
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine (CID 154002304) is 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine is c1ccc(-c2nc3cccnc3n2CN2CCNCC2)cc1.
What is the InChIKey of 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is LJEMLJSBPFACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-2-5-14(6-3-1)16-20-15-7-4-8-19-17(15)22(16)13-21-11-9-18-10-12-21/h1-8,18H,9-13H2.
What are the key properties of 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine?
2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 293.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 154002304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).