4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole

C17H13FN2OS — CID 54501703

IUPAC4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole
SMILESCc1ccc(-c2nn(Cc3cccs3)c3cccc(F)c23)o1
InChIInChI=1S/C17H13FN2OS/c1-11-7-8-15(21-11)17-16-13(18)5-2-6-14(16)20(19-17)10-12-4-3-9-22-12/h2-9H,10H2,1H3
InChIKeyYCWUFXNQIOGPGJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.85
Rot. Bonds3

About 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole

4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole (PubChem CID 54501703) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole.

Molecular Properties

Compound Name4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole
PubChem CID54501703
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole
SMILESCc1ccc(-c2nn(Cc3cccs3)c3cccc(F)c23)o1
InChIInChI=1S/C17H13FN2OS/c1-11-7-8-15(21-11)17-16-13(18)5-2-6-14(16)20(19-17)10-12-4-3-9-22-12/h2-9H,10H2,1H3
InChIKeyYCWUFXNQIOGPGJ-UHFFFAOYSA-N
XLogP4.85
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole?
The IUPAC name of 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole (CID 54501703) is 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole.
What is the SMILES notation for 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole?
The canonical SMILES for 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole is Cc1ccc(-c2nn(Cc3cccs3)c3cccc(F)c23)o1.
What is the InChIKey of 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole?
The InChIKey is YCWUFXNQIOGPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11-7-8-15(21-11)17-16-13(18)5-2-6-14(16)20(19-17)10-12-4-3-9-22-12/h2-9H,10H2,1H3.
What are the key properties of 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole?
4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole has a molecular weight of 312.37 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(5-methylfuran-2-yl)-1-(thiophen-2-ylmethyl)indazole is sourced from PubChem (CID 54501703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).