N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide

C32H34N4O6 — CID 142473482

About N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide

N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 142473482) has the molecular formula C32H34N4O6 and a molecular weight of 570.65 g/mol. Its IUPAC name is N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide
• PubChem CID: 142473482
• Molecular Formula: C32H34N4O6
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.25
• IUPAC Name: N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide
• SMILES: COC(OC)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1CCCO1
• InChI: InChI=1S/C32H34N4O6/c1-40-30(41-2)24-8-4-3-7-21(24)18-36(29(38)26-10-6-14-42-26)19-27(37)34-23-12-11-20-16-32(17-22(20)15-23)25-9-5-13-33-28(25)35-31(32)39/h3-5,7-9,11-13,15,26,30H,6,10,14,16-19H2,1-2H3,(H,34,37)(H,33,35,39)
• InChIKey: ARKJRJLSYDTSTR-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 119.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide?

The IUPAC name of N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide (CID 142473482) is N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide.

What is the SMILES notation for N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide?

The canonical SMILES for N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide is COC(OC)c1ccccc1CN(CC(=O)Nc1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21)C(=O)C1CCCO1.

What is the InChIKey of N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide?

The InChIKey is ARKJRJLSYDTSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O6/c1-40-30(41-2)24-8-4-3-7-21(24)18-36(29(38)26-10-6-14-42-26)19-27(37)34-23-12-11-20-16-32(17-22(20)15-23)25-9-5-13-33-28(25)35-31(32)39/h3-5,7-9,11-13,15,26,30H,6,10,14,16-19H2,1-2H3,(H,34,37)(H,33,35,39).

What are the key properties of N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide?

N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 570.65 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(dimethoxymethyl)phenyl]methyl]-N-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 142473482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).