4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide

C21H15F2N3O2 — CID 59797387

IUPAC4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C21H15F2N3O2/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15/h1-11H,12H2,(H,24,27)(H,25,26)/b8-6+
InChIKeyHGHNYDPMUFWFQF-SOFGYWHQSA-N
MW379.37 g/mol
LogP4.53
Rot. Bonds5

About 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide

4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 59797387) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID59797387
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F
InChIInChI=1S/C21H15F2N3O2/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15/h1-11H,12H2,(H,24,27)(H,25,26)/b8-6+
InChIKeyHGHNYDPMUFWFQF-SOFGYWHQSA-N
XLogP4.53
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 59797339
6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 72564568
3-[2-(furan-3-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628204
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-indazole-5-carboxamide
CID 59796966
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796995
3-[2-(6-acetyl-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628291
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 91114407
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 19514521
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91101370
N-(furan-2-ylmethyl)-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 90905062
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 59797387) is 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1ccc2[nH]nc(/C=C/c3cccc(F)c3)c2c1F.
What is the InChIKey of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is HGHNYDPMUFWFQF-SOFGYWHQSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c22-14-4-1-3-13(11-14)6-8-17-19-18(26-25-17)9-7-16(20(19)23)21(27)24-12-15-5-2-10-28-15/h1-11H,12H2,(H,24,27)(H,25,26)/b8-6+.
What are the key properties of 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide?
4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).