7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one

C20H19FN6O2 — CID 154732905

IUPAC7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=C1NC(CN2CC(Oc3ccncc3)C2)Nn2c1cnc2-c1ccc(F)cc1
InChIInChI=1S/C20H19FN6O2/c21-14-3-1-13(2-4-14)19-23-9-17-20(28)24-18(25-27(17)19)12-26-10-16(11-26)29-15-5-7-22-8-6-15/h1-9,16,18,25H,10-12H2,(H,24,28)
InChIKeyKIQHXQYTTQGGES-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.46
Rot. Bonds5

About 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one

7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 154732905) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID154732905
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESO=C1NC(CN2CC(Oc3ccncc3)C2)Nn2c1cnc2-c1ccc(F)cc1
InChIInChI=1S/C20H19FN6O2/c21-14-3-1-13(2-4-14)19-23-9-17-20(28)24-18(25-27(17)19)12-26-10-16(11-26)29-15-5-7-22-8-6-15/h1-9,16,18,25H,10-12H2,(H,24,28)
InChIKeyKIQHXQYTTQGGES-UHFFFAOYSA-N
XLogP1.46
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one 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-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 154732905) is 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one is O=C1NC(CN2CC(Oc3ccncc3)C2)Nn2c1cnc2-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is KIQHXQYTTQGGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-14-3-1-13(2-4-14)19-23-9-17-20(28)24-18(25-27(17)19)12-26-10-16(11-26)29-15-5-7-22-8-6-15/h1-9,16,18,25H,10-12H2,(H,24,28).
What are the key properties of 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one?
7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 394.41 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(3-pyridin-4-yloxyazetidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 154732905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).