7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline

C29H22N6O — CID 69329100

IUPAC7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline
SMILESc1ccc(Oc2ccc3ccc(-c4nc(C5CCC5)n5ncnc(-c6ccccn6)c45)cc3n2)cc1
InChIInChI=1S/C29H22N6O/c1-2-9-22(10-3-1)36-25-15-14-19-12-13-21(17-24(19)33-25)26-28-27(23-11-4-5-16-30-23)31-18-32-35(28)29(34-26)20-7-6-8-20/h1-5,9-18,20H,6-8H2
InChIKeyIHACZALJHIECOQ-UHFFFAOYSA-N
MW470.54 g/mol
LogP6.46
Rot. Bonds5

About 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline

7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline (PubChem CID 69329100) has the molecular formula C29H22N6O and a molecular weight of 470.54 g/mol. Its IUPAC name is 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline.

Molecular Properties

Compound Name7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline
PubChem CID69329100
Molecular FormulaC29H22N6O
Molecular Weight470.54 g/mol
Exact Mass470.19
IUPAC Name7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline
SMILESc1ccc(Oc2ccc3ccc(-c4nc(C5CCC5)n5ncnc(-c6ccccn6)c45)cc3n2)cc1
InChIInChI=1S/C29H22N6O/c1-2-9-22(10-3-1)36-25-15-14-19-12-13-21(17-24(19)33-25)26-28-27(23-11-4-5-16-30-23)31-18-32-35(28)29(34-26)20-7-6-8-20/h1-5,9-18,20H,6-8H2
InChIKeyIHACZALJHIECOQ-UHFFFAOYSA-N
XLogP6.46
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline?
The IUPAC name of 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline (CID 69329100) is 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline.
What is the SMILES notation for 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline?
The canonical SMILES for 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline is c1ccc(Oc2ccc3ccc(-c4nc(C5CCC5)n5ncnc(-c6ccccn6)c45)cc3n2)cc1.
What is the InChIKey of 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline?
The InChIKey is IHACZALJHIECOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O/c1-2-9-22(10-3-1)36-25-15-14-19-12-13-21(17-24(19)33-25)26-28-27(23-11-4-5-16-30-23)31-18-32-35(28)29(34-26)20-7-6-8-20/h1-5,9-18,20H,6-8H2.
What are the key properties of 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline?
7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline has a molecular weight of 470.54 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-cyclobutyl-4-pyridin-2-ylimidazo[5,1-f][1,2,4]triazin-5-yl)-2-phenoxyquinoline is sourced from PubChem (CID 69329100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).