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

C19H24N6O3 — CID 97113026

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

(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97113026) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97113026
• Molecular Formula: C19H24N6O3
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.19
• IUPAC Name: (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: O=C1CC[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1CCc1cnc[nH]1
• InChI: InChI=1S/C19H24N6O3/c26-16-10-21-15(9-22-16)18(28)25-6-1-4-19(12-25)5-2-17(27)24(11-19)7-3-14-8-20-13-23-14/h8-10,13H,1-7,11-12H2,(H,20,23)(H,22,26)/t19-/m0/s1
• InChIKey: YJGKRWMDHYAPQW-IBGZPJMESA-N
• XLogP: 0.58
• TPSA: 115.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97113026) is (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

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

The canonical SMILES for (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(C(=O)c3c[nH]c(=O)cn3)C2)CN1CCc1cnc[nH]1.

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

The InChIKey is YJGKRWMDHYAPQW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N6O3/c26-16-10-21-15(9-22-16)18(28)25-6-1-4-19(12-25)5-2-17(27)24(11-19)7-3-14-8-20-13-23-14/h8-10,13H,1-7,11-12H2,(H,20,23)(H,22,26)/t19-/m0/s1.

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

(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 384.44 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97113026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).