2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one

C20H17FN4O — CID 15985250

IUPAC2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
SMILESCc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1ccccc1F
InChIInChI=1S/C20H17FN4O/c1-12-19(22-23-25(12)18-5-3-2-4-17(18)21)13-6-9-16-14(10-13)11-24(20(16)26)15-7-8-15/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyHQLYFKXRZUZIEI-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.50
Rot. Bonds3

About 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one

2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one (PubChem CID 15985250) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
PubChem CID15985250
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
SMILESCc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1ccccc1F
InChIInChI=1S/C20H17FN4O/c1-12-19(22-23-25(12)18-5-3-2-4-17(18)21)13-6-9-16-14(10-13)11-24(20(16)26)15-7-8-15/h2-6,9-10,15H,7-8,11H2,1H3
InChIKeyHQLYFKXRZUZIEI-UHFFFAOYSA-N
XLogP3.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-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 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one (CID 15985250) is 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one is Cc1c(-c2ccc3c(c2)CN(C2CC2)C3=O)nnn1-c1ccccc1F.
What is the InChIKey of 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one?
The InChIKey is HQLYFKXRZUZIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-12-19(22-23-25(12)18-5-3-2-4-17(18)21)13-6-9-16-14(10-13)11-24(20(16)26)15-7-8-15/h2-6,9-10,15H,7-8,11H2,1H3.
What are the key properties of 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one?
2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one has a molecular weight of 348.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[1-(2-fluorophenyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one is sourced from PubChem (CID 15985250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).