5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one

C23H17F2N3O — CID 166989402

IUPAC5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
SMILESO=C1CCC(c2cccc(F)c2)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H17F2N3O/c24-17-4-6-19(7-5-17)28-22-9-8-20(13-16(22)14-26-28)27-21(10-11-23(27)29)15-2-1-3-18(25)12-15/h1-9,12-14,21H,10-11H2
InChIKeyLGUKNWWXKPEEQP-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.17
Rot. Bonds3

About 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one

5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one (PubChem CID 166989402) has the molecular formula C23H17F2N3O and a molecular weight of 389.41 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
PubChem CID166989402
Molecular FormulaC23H17F2N3O
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one
SMILESO=C1CCC(c2cccc(F)c2)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H17F2N3O/c24-17-4-6-19(7-5-17)28-22-9-8-20(13-16(22)14-26-28)27-21(10-11-23(27)29)15-2-1-3-18(25)12-15/h1-9,12-14,21H,10-11H2
InChIKeyLGUKNWWXKPEEQP-UHFFFAOYSA-N
XLogP5.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one (CID 166989402) is 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one is O=C1CCC(c2cccc(F)c2)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one?
The InChIKey is LGUKNWWXKPEEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O/c24-17-4-6-19(7-5-17)28-22-9-8-20(13-16(22)14-26-28)27-21(10-11-23(27)29)15-2-1-3-18(25)12-15/h1-9,12-14,21H,10-11H2.
What are the key properties of 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one?
5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one has a molecular weight of 389.41 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 166989402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).