(5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C19H20N4O3 — CID 126442350

About (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 126442350) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

• Compound Name: (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• PubChem CID: 126442350
• Molecular Formula: C19H20N4O3
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.15
• IUPAC Name: (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
• SMILES: Cc1ccc(-c2ccc(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)cc2)nn1
• InChI: InChI=1S/C19H20N4O3/c1-13-3-8-16(21-20-13)14-4-6-15(7-5-14)17(24)23-10-9-19(12-23)11-22(2)18(25)26-19/h3-8H,9-12H2,1-2H3/t19-/m1/s1
• InChIKey: SBHYORLOCRTWAS-LJQANCHMSA-N
• XLogP: 2.12
• TPSA: 75.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The IUPAC name of (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 126442350) is (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

What is the SMILES notation for (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The canonical SMILES for (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is Cc1ccc(-c2ccc(C(=O)N3CC[C@@]4(CN(C)C(=O)O4)C3)cc2)nn1.

What is the InChIKey of (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

The InChIKey is SBHYORLOCRTWAS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-3-8-16(21-20-13)14-4-6-15(7-5-14)17(24)23-10-9-19(12-23)11-22(2)18(25)26-19/h3-8H,9-12H2,1-2H3/t19-/m1/s1.

What are the key properties of (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?

(5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 352.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-methyl-7-[4-(6-methylpyridazin-3-yl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 126442350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).