2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine

C33H25F2N13 — CID 159038986

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnc1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1cncn1
InChIInChI=1S/C17H13FN6.C16H12FN7/c18-14-6-2-1-5-13(14)11-24-17(23-10-9-19-12-23)21-16(22-24)15-7-3-4-8-20-15;17-13-6-2-1-5-12(13)9-23-16(24-11-18-10-20-24)21-15(22-23)14-7-3-4-8-19-14/h1-10,12H,11H2;1-8,10-11H,9H2
InChIKeyJVUUAGQYDBZNMC-UHFFFAOYSA-N
MW641.65 g/mol
LogP4.82
Rot. Bonds8

About 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine

2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 159038986) has the molecular formula C33H25F2N13 and a molecular weight of 641.65 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine
PubChem CID159038986
Molecular FormulaC33H25F2N13
Molecular Weight641.65 g/mol
Exact Mass641.23
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnc1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1cncn1
InChIInChI=1S/C17H13FN6.C16H12FN7/c18-14-6-2-1-5-13(14)11-24-17(23-10-9-19-12-23)21-16(22-24)15-7-3-4-8-20-15;17-13-6-2-1-5-12(13)9-23-16(24-11-18-10-20-24)21-15(22-23)14-7-3-4-8-19-14/h1-10,12H,11H2;1-8,10-11H,9H2
InChIKeyJVUUAGQYDBZNMC-UHFFFAOYSA-N
XLogP4.82
TPSA135.73 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.65
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine 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-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine (CID 159038986) is 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine is Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1ccnc1.Fc1ccccc1Cn1nc(-c2ccccn2)nc1-n1cncn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is JVUUAGQYDBZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6.C16H12FN7/c18-14-6-2-1-5-13(14)11-24-17(23-10-9-19-12-23)21-16(22-24)15-7-3-4-8-20-15;17-13-6-2-1-5-12(13)9-23-16(24-11-18-10-20-24)21-15(22-23)14-7-3-4-8-19-14/h1-10,12H,11H2;1-8,10-11H,9H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine?
2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 641.65 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-5-imidazol-1-yl-1,2,4-triazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-5-(1,2,4-triazol-1-yl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 159038986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).