5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide

C21H17FN4O3S — CID 72628276

IUPAC5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)o1
InChIInChI=1S/C21H17FN4O3S/c1-26(2)21(28)19-8-7-18(29-19)20(27)23-17-10-13-15(6-5-12-4-3-9-30-12)24-25-16(13)11-14(17)22/h3-11H,1-2H3,(H,23,27)(H,24,25)
InChIKeyCQEDXSCFJXTXIG-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.48
Rot. Bonds5

About 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide

5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide (PubChem CID 72628276) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
PubChem CID72628276
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC Name5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)o1
InChIInChI=1S/C21H17FN4O3S/c1-26(2)21(28)19-8-7-18(29-19)20(27)23-17-10-13-15(6-5-12-4-3-9-30-12)24-25-16(13)11-14(17)22/h3-11H,1-2H3,(H,23,27)(H,24,25)
InChIKeyCQEDXSCFJXTXIG-UHFFFAOYSA-N
XLogP4.48
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The IUPAC name of 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide (CID 72628276) is 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The canonical SMILES for 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide is CN(C)C(=O)c1ccc(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)o1.
What is the InChIKey of 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
The InChIKey is CQEDXSCFJXTXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-26(2)21(28)19-8-7-18(29-19)20(27)23-17-10-13-15(6-5-12-4-3-9-30-12)24-25-16(13)11-14(17)22/h3-11H,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide?
5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide is sourced from PubChem (CID 72628276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).