(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H20FN3O2 — CID 166613101

IUPAC(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccc(F)cn2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H20FN3O2/c1-2-5-17-20(14-6-3-4-7-15(14)23-19(20)26)10-11-24(17)18(25)16-9-8-13(21)12-22-16/h3-4,6-9,12,17H,2,5,10-11H2,1H3,(H,23,26)/t17-,20+/m0/s1
InChIKeyPIJVXWQKDJEOJA-FXAWDEMLSA-N
MW353.40 g/mol
LogP3.13
Rot. Bonds3

About (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166613101) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166613101
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccc(F)cn2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H20FN3O2/c1-2-5-17-20(14-6-3-4-7-15(14)23-19(20)26)10-11-24(17)18(25)16-9-8-13(21)12-22-16/h3-4,6-9,12,17H,2,5,10-11H2,1H3,(H,23,26)/t17-,20+/m0/s1
InChIKeyPIJVXWQKDJEOJA-FXAWDEMLSA-N
XLogP3.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166613101) is (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2ccc(F)cn2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is PIJVXWQKDJEOJA-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-2-5-17-20(14-6-3-4-7-15(14)23-19(20)26)10-11-24(17)18(25)16-9-8-13(21)12-22-16/h3-4,6-9,12,17H,2,5,10-11H2,1H3,(H,23,26)/t17-,20+/m0/s1.
What are the key properties of (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 353.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166613101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).