N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide

C22H16F2N4O2 — CID 68927368

IUPACN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F
InChIInChI=1S/C22H16F2N4O2/c1-30-22-15(3-2-10-25-22)21(29)26-20-11-16-18(27-28-19(16)12-17(20)24)9-6-13-4-7-14(23)8-5-13/h2-12H,1H3,(H,26,29)(H,27,28)
InChIKeyWGCYRKHWPLGDCB-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.67
Rot. Bonds5

About N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 68927368) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide
PubChem CID68927368
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC NameN-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F
InChIInChI=1S/C22H16F2N4O2/c1-30-22-15(3-2-10-25-22)21(29)26-20-11-16-18(27-28-19(16)12-17(20)24)9-6-13-4-7-14(23)8-5-13/h2-12H,1H3,(H,26,29)(H,27,28)
InChIKeyWGCYRKHWPLGDCB-UHFFFAOYSA-N
XLogP4.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide 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 N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide (CID 68927368) is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cc2c(C=Cc3ccc(F)cc3)n[nH]c2cc1F.
What is the InChIKey of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is WGCYRKHWPLGDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c1-30-22-15(3-2-10-25-22)21(29)26-20-11-16-18(27-28-19(16)12-17(20)24)9-6-13-4-7-14(23)8-5-13/h2-12H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide?
N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 68927368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).