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

C20H13F2N3O2 — CID 59797061

IUPACN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)c1ccco1
InChIInChI=1S/C20H13F2N3O2/c21-13-4-1-3-12(9-13)6-7-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-5-2-8-27-19/h1-11H,(H,23,26)(H,24,25)/b7-6+
InChIKeyZTGFCOFICVHHPA-VOTSOKGWSA-N
MW365.34 g/mol
LogP4.86
Rot. Bonds4

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

N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide (PubChem CID 59797061) has the molecular formula C20H13F2N3O2 and a molecular weight of 365.34 g/mol. Its IUPAC name is N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide
PubChem CID59797061
Molecular FormulaC20H13F2N3O2
Molecular Weight365.34 g/mol
Exact Mass365.10
IUPAC NameN-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)c1ccco1
InChIInChI=1S/C20H13F2N3O2/c21-13-4-1-3-12(9-13)6-7-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-5-2-8-27-19/h1-11H,(H,23,26)(H,24,25)/b7-6+
InChIKeyZTGFCOFICVHHPA-VOTSOKGWSA-N
XLogP4.86
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide (CID 59797061) is N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide is O=C(Nc1cc2c(/C=C/c3cccc(F)c3)n[nH]c2cc1F)c1ccco1.
What is the InChIKey of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide?
The InChIKey is ZTGFCOFICVHHPA-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H13F2N3O2/c21-13-4-1-3-12(9-13)6-7-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-5-2-8-27-19/h1-11H,(H,23,26)(H,24,25)/b7-6+.
What are the key properties of N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide?
N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide has a molecular weight of 365.34 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 59797061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).