(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H25N5O3 — CID 166618211

IUPAC(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CCc1n[nH]c(=O)[nH]1)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1
InChIInChI=1S/C24H25N5O3/c30-21(13-12-20-26-23(32)28-27-20)29-15-14-24(17-8-4-5-9-18(17)25-22(24)31)19(29)11-10-16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,25,31)(H2,26,27,28,32)/t19-,24-/m0/s1
InChIKeyCOZHBVSCSCKHKQ-CYFREDJKSA-N
MW431.50 g/mol
LogP2.15
Rot. Bonds6

About (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166618211) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166618211
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CCc1n[nH]c(=O)[nH]1)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1
InChIInChI=1S/C24H25N5O3/c30-21(13-12-20-26-23(32)28-27-20)29-15-14-24(17-8-4-5-9-18(17)25-22(24)31)19(29)11-10-16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,25,31)(H2,26,27,28,32)/t19-,24-/m0/s1
InChIKeyCOZHBVSCSCKHKQ-CYFREDJKSA-N
XLogP2.15
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[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,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166618211) is (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(CCc1n[nH]c(=O)[nH]1)N1CC[C@@]2(C(=O)Nc3ccccc32)[C@@H]1CCc1ccccc1.
What is the InChIKey of (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is COZHBVSCSCKHKQ-CYFREDJKSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-21(13-12-20-26-23(32)28-27-20)29-15-14-24(17-8-4-5-9-18(17)25-22(24)31)19(29)11-10-16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,25,31)(H2,26,27,28,32)/t19-,24-/m0/s1.
What are the key properties of (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 431.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-(2-phenylethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166618211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).