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

C20H16F2N6O2 — CID 76611277

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

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 76611277) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide
• PubChem CID: 76611277
• Molecular Formula: C20H16F2N6O2
• Molecular Weight: 410.38 g/mol
• Exact Mass: 410.13
• IUPAC Name: N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide
• SMILES: CNCc1nnc(C(=O)Nc2cc3c(C=Cc4ccc(F)cc4)n[nH]c3cc2F)o1
• InChI: InChI=1S/C20H16F2N6O2/c1-23-10-18-27-28-20(30-18)19(29)24-17-8-13-15(25-26-16(13)9-14(17)22)7-4-11-2-5-12(21)6-3-11/h2-9,23H,10H2,1H3,(H,24,29)(H,25,26)
• InChIKey: BPFZHNCDYMVQHG-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 108.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.38
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide?

The IUPAC name of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide (CID 76611277) is N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide.

What is the SMILES notation for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide?

The canonical SMILES for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide is CNCc1nnc(C(=O)Nc2cc3c(C=Cc4ccc(F)cc4)n[nH]c3cc2F)o1.

What is the InChIKey of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide?

The InChIKey is BPFZHNCDYMVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-23-10-18-27-28-20(30-18)19(29)24-17-8-13-15(25-26-16(13)9-14(17)22)7-4-11-2-5-12(21)6-3-11/h2-9,23H,10H2,1H3,(H,24,29)(H,25,26).

What are the key properties of N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide?

N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-fluoro-3-[2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-(methylaminomethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 76611277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).