[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

C19H27N5O5 — CID 7956098

About [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 7956098) has the molecular formula C19H27N5O5 and a molecular weight of 405.46 g/mol. Its IUPAC name is [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

• Compound Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
• PubChem CID: 7956098
• Molecular Formula: C19H27N5O5
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.20
• IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
• SMILES: CC(C)n1nccc1NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O
• InChI: InChI=1S/C19H27N5O5/c1-12(2)24-14(7-9-20-24)21-15(25)11-29-16(26)10-23-17(27)19(22-18(23)28)8-5-4-6-13(19)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,21,25)(H,22,28)/t13-,19-/m0/s1
• InChIKey: FTLFGIGUZGXRGC-DJJJIMSYSA-N
• XLogP: 1.45
• TPSA: 122.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 7956098) is [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is CC(C)n1nccc1NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O.

What is the InChIKey of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The InChIKey is FTLFGIGUZGXRGC-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H27N5O5/c1-12(2)24-14(7-9-20-24)21-15(25)11-29-16(26)10-23-17(27)19(22-18(23)28)8-5-4-6-13(19)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,21,25)(H,22,28)/t13-,19-/m0/s1.

What are the key properties of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 405.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 7956098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).