(2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H22N4O2 — CID 166622561

IUPAC(2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1cncnc1)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1
InChIInChI=1S/C24H22N4O2/c29-22(18-14-25-16-26-15-18)28-13-12-24(19-8-4-5-9-20(19)27-23(24)30)21(28)11-10-17-6-2-1-3-7-17/h1-9,14-16,21H,10-13H2,(H,27,30)/t21-,24+/m0/s1
InChIKeyVTWGQNJGHNBSPU-XUZZJYLKSA-N
MW398.47 g/mol
LogP3.21
Rot. Bonds4

About (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622561) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166622561
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name(2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1cncnc1)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1
InChIInChI=1S/C24H22N4O2/c29-22(18-14-25-16-26-15-18)28-13-12-24(19-8-4-5-9-20(19)27-23(24)30)21(28)11-10-17-6-2-1-3-7-17/h1-9,14-16,21H,10-13H2,(H,27,30)/t21-,24+/m0/s1
InChIKeyVTWGQNJGHNBSPU-XUZZJYLKSA-N
XLogP3.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3S)-1'-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623275
(2'S,3R)-1'-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612604
(2'S,3R)-1'-(2-ethoxyacetyl)-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612568
2-[2-oxo-2-[(2'S,3R)-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethoxy]acetamide
CID 166621885
(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619328
(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620844
(2'S,3S)-2'-propyl-1'-(3-pyridin-4-ylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618565
(2'S,3R)-1'-(1-methyl-2-oxopyridine-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616803
(2'S,3S)-N,N-dimethyl-2-oxo-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-sulfonamide
CID 166614292
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
(2'S,3R)-1'-ethylsulfonyl-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322090
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166622561) is (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(c1cncnc1)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1.
What is the InChIKey of (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is VTWGQNJGHNBSPU-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-22(18-14-25-16-26-15-18)28-13-12-24(19-8-4-5-9-20(19)27-23(24)30)21(28)11-10-17-6-2-1-3-7-17/h1-9,14-16,21H,10-13H2,(H,27,30)/t21-,24+/m0/s1.
What are the key properties of (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 398.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(2-phenylethyl)-1'-(pyrimidine-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).