(3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

C24H19Cl2N3O2 — CID 29056886

IUPAC(3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C24H19Cl2N3O2/c1-29-13-18(14-4-6-16(25)7-5-14)21(22(30)15-3-2-10-27-12-15)24(29)19-11-17(26)8-9-20(19)28-23(24)31/h2-12,18,21H,13H2,1H3,(H,28,31)/t18-,21-,24-/m1/s1
InChIKeyFKJXXAJGCVDXLY-MEKIYTOJSA-N
MW452.34 g/mol
LogP4.76
Rot. Bonds3

About (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one

(3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (PubChem CID 29056886) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
PubChem CID29056886
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC Name(3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
SMILESCN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C24H19Cl2N3O2/c1-29-13-18(14-4-6-16(25)7-5-14)21(22(30)15-3-2-10-27-12-15)24(29)19-11-17(26)8-9-20(19)28-23(24)31/h2-12,18,21H,13H2,1H3,(H,28,31)/t18-,21-,24-/m1/s1
InChIKeyFKJXXAJGCVDXLY-MEKIYTOJSA-N
XLogP4.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The IUPAC name of (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one (CID 29056886) is (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one.
What is the SMILES notation for (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The canonical SMILES for (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is CN1C[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
The InChIKey is FKJXXAJGCVDXLY-MEKIYTOJSA-N. The full InChI is InChI=1S/C24H19Cl2N3O2/c1-29-13-18(14-4-6-16(25)7-5-14)21(22(30)15-3-2-10-27-12-15)24(29)19-11-17(26)8-9-20(19)28-23(24)31/h2-12,18,21H,13H2,1H3,(H,28,31)/t18-,21-,24-/m1/s1.
What are the key properties of (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one?
(3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one has a molecular weight of 452.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'S,4'S)-5-chloro-4'-(4-chlorophenyl)-1'-methyl-3'-(pyridine-3-carbonyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one is sourced from PubChem (CID 29056886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).