1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one

C23H29N3O — CID 122231208

IUPAC1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one
SMILESCCCCCN1C(=O)C2(CN(CCCC)c3ncccc32)c2ccccc21
InChIInChI=1S/C23H29N3O/c1-3-5-9-16-26-20-13-8-7-11-18(20)23(22(26)27)17-25(15-6-4-2)21-19(23)12-10-14-24-21/h7-8,10-14H,3-6,9,15-17H2,1-2H3
InChIKeyHVAJOMFKKRJGQI-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.52
Rot. Bonds7

About 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one

1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one (PubChem CID 122231208) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one
PubChem CID122231208
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one
SMILESCCCCCN1C(=O)C2(CN(CCCC)c3ncccc32)c2ccccc21
InChIInChI=1S/C23H29N3O/c1-3-5-9-16-26-20-13-8-7-11-18(20)23(22(26)27)17-25(15-6-4-2)21-19(23)12-10-14-24-21/h7-8,10-14H,3-6,9,15-17H2,1-2H3
InChIKeyHVAJOMFKKRJGQI-UHFFFAOYSA-N
XLogP4.52
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-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 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one (CID 122231208) is 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one is CCCCCN1C(=O)C2(CN(CCCC)c3ncccc32)c2ccccc21.
What is the InChIKey of 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one?
The InChIKey is HVAJOMFKKRJGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-5-9-16-26-20-13-8-7-11-18(20)23(22(26)27)17-25(15-6-4-2)21-19(23)12-10-14-24-21/h7-8,10-14H,3-6,9,15-17H2,1-2H3.
What are the key properties of 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one?
1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one has a molecular weight of 363.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1'-pentylspiro[2H-pyrrolo[2,3-b]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 122231208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).