1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone

C18H15FN4O — CID 59149675

IUPAC1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(Cc1ncn[nH]1)C1CC1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C18H15FN4O/c19-13-4-1-11(2-5-13)16-6-3-12(9-20-16)14-7-15(14)17(24)8-18-21-10-22-23-18/h1-6,9-10,14-15H,7-8H2,(H,21,22,23)
InChIKeyAOTLJASOEKPAMG-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.92
Rot. Bonds5

About 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone

1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone (PubChem CID 59149675) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone
PubChem CID59149675
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone
SMILESO=C(Cc1ncn[nH]1)C1CC1c1ccc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C18H15FN4O/c19-13-4-1-11(2-5-13)16-6-3-12(9-20-16)14-7-15(14)17(24)8-18-21-10-22-23-18/h1-6,9-10,14-15H,7-8H2,(H,21,22,23)
InChIKeyAOTLJASOEKPAMG-UHFFFAOYSA-N
XLogP2.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone 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 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone?
The IUPAC name of 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone (CID 59149675) is 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone.
What is the SMILES notation for 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone?
The canonical SMILES for 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone is O=C(Cc1ncn[nH]1)C1CC1c1ccc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone?
The InChIKey is AOTLJASOEKPAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-13-4-1-11(2-5-13)16-6-3-12(9-20-16)14-7-15(14)17(24)8-18-21-10-22-23-18/h1-6,9-10,14-15H,7-8H2,(H,21,22,23).
What are the key properties of 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone?
1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone has a molecular weight of 322.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropyl]-2-(1H-1,2,4-triazol-5-yl)ethanone is sourced from PubChem (CID 59149675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).