2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

C28H28F3N5O4 — CID 25173078

About 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 25173078) has the molecular formula C28H28F3N5O4 and a molecular weight of 555.56 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
• PubChem CID: 25173078
• Molecular Formula: C28H28F3N5O4
• Molecular Weight: 555.56 g/mol
• Exact Mass: 555.21
• IUPAC Name: 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
• SMILES: O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCCCC2)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
• InChI: InChI=1S/C28H28F3N5O4/c29-28(30,31)16-35-24(39)27(9-3-1-2-4-10-27)36(25(35)40)15-21(37)33-19-8-7-17-13-26(14-18(17)12-19)20-6-5-11-32-22(20)34-23(26)38/h5-8,11-12H,1-4,9-10,13-16H2,(H,33,37)(H,32,34,38)/t26-/m1/s1
• InChIKey: GXZWQDJPAPQUDQ-AREMUKBSSA-N
• XLogP: 3.93
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.56
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The IUPAC name of 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 25173078) is 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

What is the SMILES notation for 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The canonical SMILES for 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is O=C(CN1C(=O)N(CC(F)(F)F)C(=O)C12CCCCCC2)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21.

What is the InChIKey of 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

The InChIKey is GXZWQDJPAPQUDQ-AREMUKBSSA-N. The full InChI is InChI=1S/C28H28F3N5O4/c29-28(30,31)16-35-24(39)27(9-3-1-2-4-10-27)36(25(35)40)15-21(37)33-19-8-7-17-13-26(14-18(17)12-19)20-6-5-11-32-22(20)34-23(26)38/h5-8,11-12H,1-4,9-10,13-16H2,(H,33,37)(H,32,34,38)/t26-/m1/s1.

What are the key properties of 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?

2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide has a molecular weight of 555.56 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-dioxo-3-(2,2,2-trifluoroethyl)-1,3-diazaspiro[4.6]undecan-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 25173078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).