3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

C46H30F5N15 — CID 160866718

IUPAC3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCc1cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)ccc1F.Fc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c(F)c1.Fc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1F
InChIInChI=1S/C16H12FN5.2C15H9F2N5/c1-9-6-10(2-4-13(9)17)15-12-7-11(16-18-8-19-22-16)3-5-14(12)20-21-15;16-9-2-3-10(12(17)6-9)14-11-5-8(15-18-7-19-22-15)1-4-13(11)20-21-14;16-11-3-1-8(6-12(11)17)14-10-5-9(15-18-7-19-22-15)2-4-13(10)20-21-14/h2-8H,1H3,(H,20,21)(H,18,19,22);2*1-7H,(H,20,21)(H,18,19,22)
InChIKeySLFCJJFEBJLJJC-UHFFFAOYSA-N
MW887.84 g/mol
LogP10.05
Rot. Bonds6

About 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole

3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (PubChem CID 160866718) has the molecular formula C46H30F5N15 and a molecular weight of 887.84 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
PubChem CID160866718
Molecular FormulaC46H30F5N15
Molecular Weight887.84 g/mol
Exact Mass887.27
IUPAC Name3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
SMILESCc1cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)ccc1F.Fc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c(F)c1.Fc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1F
InChIInChI=1S/C16H12FN5.2C15H9F2N5/c1-9-6-10(2-4-13(9)17)15-12-7-11(16-18-8-19-22-16)3-5-14(12)20-21-15;16-9-2-3-10(12(17)6-9)14-11-5-8(15-18-7-19-22-15)1-4-13(11)20-21-14;16-11-3-1-8(6-12(11)17)14-10-5-9(15-18-7-19-22-15)2-4-13(10)20-21-14/h2-8H,1H3,(H,20,21)(H,18,19,22);2*1-7H,(H,20,21)(H,18,19,22)
InChIKeySLFCJJFEBJLJJC-UHFFFAOYSA-N
XLogP10.05
TPSA210.75 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500887.84
LogP ≤ 510.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The IUPAC name of 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole (CID 160866718) is 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is Cc1cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)ccc1F.Fc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c(F)c1.Fc1ccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
The InChIKey is SLFCJJFEBJLJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5.2C15H9F2N5/c1-9-6-10(2-4-13(9)17)15-12-7-11(16-18-8-19-22-16)3-5-14(12)20-21-15;16-9-2-3-10(12(17)6-9)14-11-5-8(15-18-7-19-22-15)1-4-13(11)20-21-14;16-11-3-1-8(6-12(11)17)14-10-5-9(15-18-7-19-22-15)2-4-13(10)20-21-14/h2-8H,1H3,(H,20,21)(H,18,19,22);2*1-7H,(H,20,21)(H,18,19,22).
What are the key properties of 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole?
3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole has a molecular weight of 887.84 g/mol, XLogP of 10.05, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(3,4-difluorophenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;3-(4-fluoro-3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is sourced from PubChem (CID 160866718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).