5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

C31H38N4O2 — CID 70870674

About 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one

5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (PubChem CID 70870674) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

Molecular Properties

• Compound Name: 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
• PubChem CID: 70870674
• Molecular Formula: C31H38N4O2
• Molecular Weight: 498.67 g/mol
• Exact Mass: 498.30
• IUPAC Name: 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
• SMILES: CC(C)CC1=NC2(CCCCCC2)N(CC(C)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O
• InChI: InChI=1S/C31H38N4O2/c1-20(2)15-26-28(36)35(31(34-26)12-6-4-5-7-13-31)19-21(3)22-10-11-23-17-30(18-24(23)16-22)25-9-8-14-32-27(25)33-29(30)37/h8-11,14,16,20-21H,4-7,12-13,15,17-19H2,1-3H3,(H,32,33,37)
• InChIKey: MZLVCKOOKVFAOJ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.67
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?

The IUPAC name of 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one (CID 70870674) is 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one.

What is the SMILES notation for 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?

The canonical SMILES for 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is CC(C)CC1=NC2(CCCCCC2)N(CC(C)c2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)C1=O.

What is the InChIKey of 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?

The InChIKey is MZLVCKOOKVFAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O2/c1-20(2)15-26-28(36)35(31(34-26)12-6-4-5-7-13-31)19-21(3)22-10-11-23-17-30(18-24(23)16-22)25-9-8-14-32-27(25)33-29(30)37/h8-11,14,16,20-21H,4-7,12-13,15,17-19H2,1-3H3,(H,32,33,37).

What are the key properties of 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one?

5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one has a molecular weight of 498.67 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[2-(2-methylpropyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]propan-2-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one is sourced from PubChem (CID 70870674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).