(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H25N5O2 — CID 96581260

About (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96581260) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 96581260
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1CC[C@]2(CCCN(C(=O)c3ccncc3)C2)CN1CCc1cnc[nH]1
• InChI: InChI=1S/C20H25N5O2/c26-18-2-7-20(13-24(18)11-5-17-12-22-15-23-17)6-1-10-25(14-20)19(27)16-3-8-21-9-4-16/h3-4,8-9,12,15H,1-2,5-7,10-11,13-14H2,(H,22,23)/t20-/m1/s1
• InChIKey: QNEONCUTOWBDDU-HXUWFJFHSA-N
• XLogP: 1.89
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96581260) is (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(C(=O)c3ccncc3)C2)CN1CCc1cnc[nH]1.

What is the InChIKey of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is QNEONCUTOWBDDU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-18-2-7-20(13-24(18)11-5-17-12-22-15-23-17)6-1-10-25(14-20)19(27)16-3-8-21-9-4-16/h3-4,8-9,12,15H,1-2,5-7,10-11,13-14H2,(H,22,23)/t20-/m1/s1.

What are the key properties of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 367.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96581260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).