(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H30N4O2 — CID 166616899

IUPAC(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2c(C)nn(C(C)C)c2C)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H30N4O2/c1-6-9-19-23(17-10-7-8-11-18(17)24-22(23)29)12-13-26(19)21(28)20-15(4)25-27(14(2)3)16(20)5/h7-8,10-11,14,19H,6,9,12-13H2,1-5H3,(H,24,29)/t19-,23+/m0/s1
InChIKeyRCNGEVSAVCQOHA-WMZHIEFXSA-N
MW394.52 g/mol
LogP3.99
Rot. Bonds4

About (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166616899) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166616899
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2c(C)nn(C(C)C)c2C)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H30N4O2/c1-6-9-19-23(17-10-7-8-11-18(17)24-22(23)29)12-13-26(19)21(28)20-15(4)25-27(14(2)3)16(20)5/h7-8,10-11,14,19H,6,9,12-13H2,1-5H3,(H,24,29)/t19-,23+/m0/s1
InChIKeyRCNGEVSAVCQOHA-WMZHIEFXSA-N
XLogP3.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[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

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166616899) is (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2c(C)nn(C(C)C)c2C)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is RCNGEVSAVCQOHA-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-6-9-19-23(17-10-7-8-11-18(17)24-22(23)29)12-13-26(19)21(28)20-15(4)25-27(14(2)3)16(20)5/h7-8,10-11,14,19H,6,9,12-13H2,1-5H3,(H,24,29)/t19-,23+/m0/s1.
What are the key properties of (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166616899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).