2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole

C89H64F5N25S3 — CID 159306784

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ccccc1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1cscn1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cscn1
InChIInChI=1S/C20H15FN4.C19H14FN5.2C17H12FN5S.C16H11FN6S/c21-17-11-5-4-10-16(17)14-25-20(15-8-2-1-3-9-15)23-19(24-25)18-12-6-7-13-22-18;20-15-8-2-1-7-14(15)13-25-19(17-10-4-6-12-22-17)23-18(24-25)16-9-3-5-11-21-16;18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15;18-13-6-2-1-5-12(13)9-23-17(15-10-24-11-20-15)21-16(22-23)14-7-3-4-8-19-14;17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14/h1-13H,14H2;1-12H,13H2;2*1-8,10-11H,9H2;1-7,9-10H,8H2
InChIKeyLCAARBKMSLMPFT-UHFFFAOYSA-N
MW1674.86 g/mol
LogP18.13
Rot. Bonds20

About 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole

2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 159306784) has the molecular formula C89H64F5N25S3 and a molecular weight of 1674.86 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID159306784
Molecular FormulaC89H64F5N25S3
Molecular Weight1674.86 g/mol
Exact Mass1673.49
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ccccc1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1cscn1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cscn1
InChIInChI=1S/C20H15FN4.C19H14FN5.2C17H12FN5S.C16H11FN6S/c21-17-11-5-4-10-16(17)14-25-20(15-8-2-1-3-9-15)23-19(24-25)18-12-6-7-13-22-18;20-15-8-2-1-7-14(15)13-25-19(17-10-4-6-12-22-17)23-18(24-25)16-9-3-5-11-21-16;18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15;18-13-6-2-1-5-12(13)9-23-17(15-10-24-11-20-15)21-16(22-23)14-7-3-4-8-19-14;17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14/h1-13H,14H2;1-12H,13H2;2*1-8,10-11H,9H2;1-7,9-10H,8H2
InChIKeyLCAARBKMSLMPFT-UHFFFAOYSA-N
XLogP18.13
TPSA282.45 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms122
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001674.86
LogP ≤ 518.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole (CID 159306784) is 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole is Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ccccc1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-c1cscn1.Fc1ccccc1Cn1nc(-c2cscn2)nc1-c1ccccn1.Fc1ccccc1Cn1nc(-c2ncccn2)nc1-c1cscn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is LCAARBKMSLMPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4.C19H14FN5.2C17H12FN5S.C16H11FN6S/c21-17-11-5-4-10-16(17)14-25-20(15-8-2-1-3-9-15)23-19(24-25)18-12-6-7-13-22-18;20-15-8-2-1-7-14(15)13-25-19(17-10-4-6-12-22-17)23-18(24-25)16-9-3-5-11-21-16;18-13-6-2-1-5-12(13)9-23-17(14-7-3-4-8-19-14)21-16(22-23)15-10-24-11-20-15;18-13-6-2-1-5-12(13)9-23-17(15-10-24-11-20-15)21-16(22-23)14-7-3-4-8-19-14;17-12-5-2-1-4-11(12)8-23-16(13-9-24-10-20-13)21-15(22-23)14-18-6-3-7-19-14/h1-13H,14H2;1-12H,13H2;2*1-8,10-11H,9H2;1-7,9-10H,8H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole?
2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 1674.86 g/mol, XLogP of 18.13, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-phenyl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]pyridine;4-[1-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyridin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 159306784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).