2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C28H23N5O4 — CID 143201119

IUPAC2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)cn(C=O)c12
InChIInChI=1S/C28H23N5O4/c1-16(35)30-23-6-2-4-21-19(14-33(15-34)25(21)23)11-24(36)31-20-8-7-17-12-28(13-18(17)10-20)22-5-3-9-29-26(22)32-27(28)37/h2-10,14-15H,11-13H2,1H3,(H,30,35)(H,31,36)(H,29,32,37)
InChIKeyISEJJMOHSYZJCC-UHFFFAOYSA-N
MW493.52 g/mol
LogP3.20
Rot. Bonds5

About 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 143201119) has the molecular formula C28H23N5O4 and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Name2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID143201119
Molecular FormulaC28H23N5O4
Molecular Weight493.52 g/mol
Exact Mass493.18
IUPAC Name2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESCC(=O)Nc1cccc2c(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)cn(C=O)c12
InChIInChI=1S/C28H23N5O4/c1-16(35)30-23-6-2-4-21-19(14-33(15-34)25(21)23)11-24(36)31-20-8-7-17-12-28(13-18(17)10-20)22-5-3-9-29-26(22)32-27(28)37/h2-10,14-15H,11-13H2,1H3,(H,30,35)(H,31,36)(H,29,32,37)
InChIKeyISEJJMOHSYZJCC-UHFFFAOYSA-N
XLogP3.20
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide 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-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 143201119) is 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.
What is the SMILES notation for 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is CC(=O)Nc1cccc2c(CC(=O)Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)cn(C=O)c12.
What is the InChIKey of 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is ISEJJMOHSYZJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O4/c1-16(35)30-23-6-2-4-21-19(14-33(15-34)25(21)23)11-24(36)31-20-8-7-17-12-28(13-18(17)10-20)22-5-3-9-29-26(22)32-27(28)37/h2-10,14-15H,11-13H2,1H3,(H,30,35)(H,31,36)(H,29,32,37).
What are the key properties of 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 493.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 143201119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).