3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H19N5O4 — CID 97261802

About 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 97261802) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

• Compound Name: 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
• PubChem CID: 97261802
• Molecular Formula: C17H19N5O4
• Molecular Weight: 357.37 g/mol
• Exact Mass: 357.14
• IUPAC Name: 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
• SMILES: C[C@H]1C(=O)Nc2cnccc2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O
• InChI: InChI=1S/C17H19N5O4/c1-10-14(24)19-11-8-18-7-4-12(11)22(10)13(23)9-21-15(25)17(20-16(21)26)5-2-3-6-17/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,19,24)(H,20,26)/t10-/m0/s1
• InChIKey: UABREJDCQPLJDW-JTQLQIEISA-N
• XLogP: 0.62
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.37
LogP ≤ 5	0.62
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 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?

The IUPAC name of 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 97261802) is 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

What is the SMILES notation for 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?

The canonical SMILES for 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is C[C@H]1C(=O)Nc2cnccc2N1C(=O)CN1C(=O)NC2(CCCC2)C1=O.

What is the InChIKey of 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?

The InChIKey is UABREJDCQPLJDW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H19N5O4/c1-10-14(24)19-11-8-18-7-4-12(11)22(10)13(23)9-21-15(25)17(20-16(21)26)5-2-3-6-17/h4,7-8,10H,2-3,5-6,9H2,1H3,(H,19,24)(H,20,26)/t10-/m0/s1.

What are the key properties of 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?

3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 357.37 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(2S)-2-methyl-3-oxo-2,4-dihydropyrido[3,4-b]pyrazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 97261802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).