5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole

C20H20FN3 — CID 175724926

IUPAC5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole
SMILESFc1ccc(C2(c3ccc4[nH]ncc4c3)CCC23CCCN3)cc1
InChIInChI=1S/C20H20FN3/c21-17-5-2-15(3-6-17)20(10-9-19(20)8-1-11-22-19)16-4-7-18-14(12-16)13-23-24-18/h2-7,12-13,22H,1,8-11H2,(H,23,24)
InChIKeyKNGCPFBZKKEHHL-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.90
Rot. Bonds2

About 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole

5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole (PubChem CID 175724926) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole
PubChem CID175724926
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole
SMILESFc1ccc(C2(c3ccc4[nH]ncc4c3)CCC23CCCN3)cc1
InChIInChI=1S/C20H20FN3/c21-17-5-2-15(3-6-17)20(10-9-19(20)8-1-11-22-19)16-4-7-18-14(12-16)13-23-24-18/h2-7,12-13,22H,1,8-11H2,(H,23,24)
InChIKeyKNGCPFBZKKEHHL-UHFFFAOYSA-N
XLogP3.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole?
The IUPAC name of 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole (CID 175724926) is 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole?
The canonical SMILES for 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole is Fc1ccc(C2(c3ccc4[nH]ncc4c3)CCC23CCCN3)cc1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole?
The InChIKey is KNGCPFBZKKEHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-17-5-2-15(3-6-17)20(10-9-19(20)8-1-11-22-19)16-4-7-18-14(12-16)13-23-24-18/h2-7,12-13,22H,1,8-11H2,(H,23,24).
What are the key properties of 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole?
5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole has a molecular weight of 321.40 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole is sourced from PubChem (CID 175724926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).