(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H26N6O2 — CID 97122235

About (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97122235) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97122235
• Molecular Formula: C20H26N6O2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.21
• IUPAC Name: (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cnc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cn1
• InChI: InChI=1S/C20H26N6O2/c1-15-9-23-17(11-22-15)19(28)26-7-2-5-20(13-26)6-3-18(27)25(12-20)8-4-16-10-21-14-24-16/h9-11,14H,2-8,12-13H2,1H3,(H,21,24)/t20-/m1/s1
• InChIKey: WWXVNGDHVJZKLX-HXUWFJFHSA-N
• XLogP: 1.60
• TPSA: 95.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97122235) is (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1cnc(C(=O)N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cn1.

What is the InChIKey of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is WWXVNGDHVJZKLX-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15-9-23-17(11-22-15)19(28)26-7-2-5-20(13-26)6-3-18(27)25(12-20)8-4-16-10-21-14-24-16/h9-11,14H,2-8,12-13H2,1H3,(H,21,24)/t20-/m1/s1.

What are the key properties of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.47 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97122235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).