(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C21H27N5O2 — CID 97141105

About (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97141105) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97141105
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4cccn4C)C3)CCC2=O)cn1
• InChI: InChI=1S/C21H27N5O2/c1-16-11-23-17(12-22-16)13-26-15-21(8-6-19(26)27)7-4-10-25(14-21)20(28)18-5-3-9-24(18)2/h3,5,9,11-12H,4,6-8,10,13-15H2,1-2H3/t21-/m1/s1
• InChIKey: QNHAURHTBSRILT-OAQYLSRUSA-N
• XLogP: 2.17
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97141105) is (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(CN2C[C@]3(CCCN(C(=O)c4cccn4C)C3)CCC2=O)cn1.

What is the InChIKey of (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is QNHAURHTBSRILT-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-11-23-17(12-22-16)13-26-15-21(8-6-19(26)27)7-4-10-25(14-21)20(28)18-5-3-9-24(18)2/h3,5,9,11-12H,4,6-8,10,13-15H2,1-2H3/t21-/m1/s1.

What are the key properties of (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 381.48 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(1-methylpyrrole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97141105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).