[5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone

C19H14FN5O2 — CID 133081409

IUPAC[5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)n1nc(-c2ccccn2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C19H14FN5O2/c20-15-6-4-13(5-7-15)11-22-19-23-17(16-3-1-2-9-21-16)24-25(19)18(26)14-8-10-27-12-14/h1-10,12H,11H2,(H,22,23,24)
InChIKeyHLIBNGPPBHGNAZ-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.37
Rot. Bonds5

About [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone

[5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone (PubChem CID 133081409) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone
PubChem CID133081409
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name[5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)n1nc(-c2ccccn2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C19H14FN5O2/c20-15-6-4-13(5-7-15)11-22-19-23-17(16-3-1-2-9-21-16)24-25(19)18(26)14-8-10-27-12-14/h1-10,12H,11H2,(H,22,23,24)
InChIKeyHLIBNGPPBHGNAZ-UHFFFAOYSA-N
XLogP3.37
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone 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 [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone (CID 133081409) is [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)n1nc(-c2ccccn2)nc1NCc1ccc(F)cc1.
What is the InChIKey of [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone?
The InChIKey is HLIBNGPPBHGNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-15-6-4-13(5-7-15)11-22-19-23-17(16-3-1-2-9-21-16)24-25(19)18(26)14-8-10-27-12-14/h1-10,12H,11H2,(H,22,23,24).
What are the key properties of [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone?
[5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone has a molecular weight of 363.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methylamino]-3-pyridin-2-yl-1,2,4-triazol-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 133081409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).