[3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone

C20H15FN2O2S — CID 22260897

IUPAC[3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone
SMILESCOCn1nc(-c2cccc(F)c2)c2cc(C(=O)c3cccs3)ccc21
InChIInChI=1S/C20H15FN2O2S/c1-25-12-23-17-8-7-14(20(24)18-6-3-9-26-18)11-16(17)19(22-23)13-4-2-5-15(21)10-13/h2-11H,12H2,1H3
InChIKeyUXCIBBRFSLYOIH-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.74
Rot. Bonds5

About [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone

[3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone (PubChem CID 22260897) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone
PubChem CID22260897
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name[3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone
SMILESCOCn1nc(-c2cccc(F)c2)c2cc(C(=O)c3cccs3)ccc21
InChIInChI=1S/C20H15FN2O2S/c1-25-12-23-17-8-7-14(20(24)18-6-3-9-26-18)11-16(17)19(22-23)13-4-2-5-15(21)10-13/h2-11H,12H2,1H3
InChIKeyUXCIBBRFSLYOIH-UHFFFAOYSA-N
XLogP4.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone (CID 22260897) is [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone is COCn1nc(-c2cccc(F)c2)c2cc(C(=O)c3cccs3)ccc21.
What is the InChIKey of [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone?
The InChIKey is UXCIBBRFSLYOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-25-12-23-17-8-7-14(20(24)18-6-3-9-26-18)11-16(17)19(22-23)13-4-2-5-15(21)10-13/h2-11H,12H2,1H3.
What are the key properties of [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone?
[3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone has a molecular weight of 366.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1-(methoxymethyl)indazol-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 22260897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).