5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole

C16H11F2N5 — CID 142957970

IUPAC5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
SMILESFCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C16H11F2N5/c17-8-14-19-16(23-21-14)10-3-6-13-12(7-10)15(22-20-13)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,20,22)(H,19,21,23)
InChIKeySATAYMNPYXIJEO-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.62
Rot. Bonds3

About 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole

5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole (PubChem CID 142957970) has the molecular formula C16H11F2N5 and a molecular weight of 311.30 g/mol. Its IUPAC name is 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole.

Molecular Properties

Compound Name5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
PubChem CID142957970
Molecular FormulaC16H11F2N5
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole
SMILESFCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1
InChIInChI=1S/C16H11F2N5/c17-8-14-19-16(23-21-14)10-3-6-13-12(7-10)15(22-20-13)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,20,22)(H,19,21,23)
InChIKeySATAYMNPYXIJEO-UHFFFAOYSA-N
XLogP3.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole 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

5-(5-butyl-1H-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)-1H-indazole
CID 21092522
3-(4-fluorophenyl)-5-[5-(2-methylprop-2-enyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 21092504
1-[[3-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]methyl]piperidin-4-ol
CID 22479764
3-(4-fluorophenyl)-5-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1H-indazole
CID 20789046
3-(4-fluoro-3-methylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 11382493
3-[3,4-bis(fluoromethoxy)phenyl]-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 11441339
N-(4-fluorophenyl)-3-[5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]benzamide
CID 21092547
3-(3,4-diethylphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 11406169
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 21092484
3-(4-fluorophenyl)-5-pyrimidin-4-yl-1H-indazole
CID 90732532
3-(1,3-benzodioxol-5-yl)-5-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1H-indazole
CID 11451275
3-(4-fluorophenyl)-N-methyl-1H-indazol-5-amine
CID 71190825

Frequently Asked Questions

What is the IUPAC name of 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
The IUPAC name of 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole (CID 142957970) is 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole.
What is the SMILES notation for 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
The canonical SMILES for 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole is FCc1nc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)n[nH]1.
What is the InChIKey of 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
The InChIKey is SATAYMNPYXIJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5/c17-8-14-19-16(23-21-14)10-3-6-13-12(7-10)15(22-20-13)9-1-4-11(18)5-2-9/h1-7H,8H2,(H,20,22)(H,19,21,23).
What are the key properties of 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole?
5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole has a molecular weight of 311.30 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(fluoromethyl)-1H-1,2,4-triazol-3-yl]-3-(4-fluorophenyl)-1H-indazole is sourced from PubChem (CID 142957970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).