5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole

C18H18FN3O — CID 58861974

IUPAC5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole
SMILESFc1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C18H18FN3O/c19-15-3-1-13(2-4-15)11-22-8-7-17(12-22)23-16-5-6-18-14(9-16)10-20-21-18/h1-6,9-10,17H,7-8,11-12H2,(H,20,21)
InChIKeyIOZNHBSWNYDRLU-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.36
Rot. Bonds4

About 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole

5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole (PubChem CID 58861974) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole
PubChem CID58861974
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole
SMILESFc1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)C2)cc1
InChIInChI=1S/C18H18FN3O/c19-15-3-1-13(2-4-15)11-22-8-7-17(12-22)23-16-5-6-18-14(9-16)10-20-21-18/h1-6,9-10,17H,7-8,11-12H2,(H,20,21)
InChIKeyIOZNHBSWNYDRLU-UHFFFAOYSA-N
XLogP3.36
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole?
The IUPAC name of 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole (CID 58861974) is 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole is Fc1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)C2)cc1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole?
The InChIKey is IOZNHBSWNYDRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-3-1-13(2-4-15)11-22-8-7-17(12-22)23-16-5-6-18-14(9-16)10-20-21-18/h1-6,9-10,17H,7-8,11-12H2,(H,20,21).
What are the key properties of 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole?
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole has a molecular weight of 311.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-1H-indazole is sourced from PubChem (CID 58861974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).