4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C17H14ClFN6O — CID 139365530

IUPAC4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1ccc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1
InChIInChI=1S/C17H14ClFN6O/c1-25-17(21-14-6-5-13-11(15(14)18)8-20-23-13)22-16(24-25)10-7-9(26-2)3-4-12(10)19/h3-8H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyFGHYSULVLLYWDM-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.90
Rot. Bonds4

About 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine

4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 139365530) has the molecular formula C17H14ClFN6O and a molecular weight of 372.79 g/mol. Its IUPAC name is 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID139365530
Molecular FormulaC17H14ClFN6O
Molecular Weight372.79 g/mol
Exact Mass372.09
IUPAC Name4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCOc1ccc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1
InChIInChI=1S/C17H14ClFN6O/c1-25-17(21-14-6-5-13-11(15(14)18)8-20-23-13)22-16(24-25)10-7-9(26-2)3-4-12(10)19/h3-8H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyFGHYSULVLLYWDM-UHFFFAOYSA-N
XLogP3.90
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine 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 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 139365530) is 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is COc1ccc(F)c(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)c1.
What is the InChIKey of 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is FGHYSULVLLYWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN6O/c1-25-17(21-14-6-5-13-11(15(14)18)8-20-23-13)22-16(24-25)10-7-9(26-2)3-4-12(10)19/h3-8H,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 372.79 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 139365530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).