4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one

C22H20FN3O2 — CID 147909520

IUPAC4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
SMILESCOc1cc(F)c2c(c1)NC1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2
InChIInChI=1S/C22H20FN3O2/c1-28-17-10-19(23)18-12-22(25-20(18)11-17)7-9-26(21(22)27)16-4-2-14(3-5-16)15-6-8-24-13-15/h2-6,10-11,13,25H,7-9,12H2,1H3
InChIKeyIFVHUDSJODEGBZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.45
Rot. Bonds3

About 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one

4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (PubChem CID 147909520) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
PubChem CID147909520
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one
SMILESCOc1cc(F)c2c(c1)NC1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2
InChIInChI=1S/C22H20FN3O2/c1-28-17-10-19(23)18-12-22(25-20(18)11-17)7-9-26(21(22)27)16-4-2-14(3-5-16)15-6-8-24-13-15/h2-6,10-11,13,25H,7-9,12H2,1H3
InChIKeyIFVHUDSJODEGBZ-UHFFFAOYSA-N
XLogP3.45
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The IUPAC name of 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one (CID 147909520) is 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The canonical SMILES for 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is COc1cc(F)c2c(c1)NC1(CCN(c3ccc(C4=CCN=C4)cc3)C1=O)C2.
What is the InChIKey of 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
The InChIKey is IFVHUDSJODEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-28-17-10-19(23)18-12-22(25-20(18)11-17)7-9-26(21(22)27)16-4-2-14(3-5-16)15-6-8-24-13-15/h2-6,10-11,13,25H,7-9,12H2,1H3.
What are the key properties of 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one?
4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one has a molecular weight of 377.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-1'-[4-(2H-pyrrol-4-yl)phenyl]spiro[1,3-dihydroindole-2,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 147909520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).