3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine

C25H26N4O — CID 5329413

IUPAC3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc32)cc1
InChIInChI=1S/C25H26N4O/c1-3-7-22(8-4-1)29-19-27-24-17-21(18-26-25(24)29)20-9-11-23(12-10-20)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2
InChIKeyKAHWLQUVZACQGS-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.95
Rot. Bonds6

About 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine

3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine (PubChem CID 5329413) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine
PubChem CID5329413
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc32)cc1
InChIInChI=1S/C25H26N4O/c1-3-7-22(8-4-1)29-19-27-24-17-21(18-26-25(24)29)20-9-11-23(12-10-20)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2
InChIKeyKAHWLQUVZACQGS-UHFFFAOYSA-N
XLogP4.95
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine (CID 5329413) is 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine is c1ccc(-n2cnc3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc32)cc1.
What is the InChIKey of 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine?
The InChIKey is KAHWLQUVZACQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-3-7-22(8-4-1)29-19-27-24-17-21(18-26-25(24)29)20-9-11-23(12-10-20)30-16-15-28-13-5-2-6-14-28/h1,3-4,7-12,17-19H,2,5-6,13-16H2.
What are the key properties of 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine?
3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine has a molecular weight of 398.51 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[4-(2-piperidin-1-ylethoxy)phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 5329413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).