(6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H26N4O3 — CID 97151690

About (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97151690) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97151690
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4ccoc4C)C3)CCC2=O)cn1
• InChI: InChI=1S/C21H26N4O3/c1-15-10-23-17(11-22-15)12-25-14-21(7-4-19(25)26)6-3-8-24(13-21)20(27)18-5-9-28-16(18)2/h5,9-11H,3-4,6-8,12-14H2,1-2H3/t21-/m1/s1
• InChIKey: SFARSJVDJRELRP-OAQYLSRUSA-N
• XLogP: 2.73
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97151690) is (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4ccoc4C)C3)CCC2=O)cn1.

What is the InChIKey of (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is SFARSJVDJRELRP-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-10-23-17(11-22-15)12-25-14-21(7-4-19(25)26)6-3-8-24(13-21)20(27)18-5-9-28-16(18)2/h5,9-11H,3-4,6-8,12-14H2,1-2H3/t21-/m1/s1.

What are the key properties of (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?

(6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-8-(2-methylfuran-3-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97151690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).