(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H24N4O2 — CID 166613792

IUPAC(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCn1nc(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)cc1C
InChIInChI=1S/C24H24N4O2/c1-3-28-16(2)15-20(26-28)22(29)27-14-13-24(21(27)17-9-5-4-6-10-17)18-11-7-8-12-19(18)25-23(24)30/h4-12,15,21H,3,13-14H2,1-2H3,(H,25,30)/t21-,24+/m0/s1
InChIKeyNQECRPKZMVAIDA-XUZZJYLKSA-N
MW400.48 g/mol
LogP3.69
Rot. Bonds3

About (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166613792) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166613792
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCn1nc(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)cc1C
InChIInChI=1S/C24H24N4O2/c1-3-28-16(2)15-20(26-28)22(29)27-14-13-24(21(27)17-9-5-4-6-10-17)18-11-7-8-12-19(18)25-23(24)30/h4-12,15,21H,3,13-14H2,1-2H3,(H,25,30)/t21-,24+/m0/s1
InChIKeyNQECRPKZMVAIDA-XUZZJYLKSA-N
XLogP3.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612719
(2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622342
(2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620503
1'-(2-oxo-1H-pyridine-4-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624363
(2'S,3R)-1'-(1,2-oxazole-5-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621828
1'-(2,6-dimethylpyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615130
1'-(2-methyl-1,3-oxazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614621
(2'S,3R)-1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615691
(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612829
(2'S,3R)-1'-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615956
1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620031
5-[2-oxo-2-(2-oxo-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 166621790

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166613792) is (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCn1nc(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)cc1C.
What is the InChIKey of (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NQECRPKZMVAIDA-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-28-16(2)15-20(26-28)22(29)27-14-13-24(21(27)17-9-5-4-6-10-17)18-11-7-8-12-19(18)25-23(24)30/h4-12,15,21H,3,13-14H2,1-2H3,(H,25,30)/t21-,24+/m0/s1.
What are the key properties of (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 400.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166613792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).