(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C20H22N4O3 — CID 97373946

About (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97373946) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97373946
• Molecular Formula: C20H22N4O3
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.17
• IUPAC Name: (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccnnc4)C3)C2=O)c1
• InChI: InChI=1S/C20H22N4O3/c1-27-17-4-2-3-15(11-17)13-23-9-6-20(19(23)26)7-10-24(14-20)18(25)16-5-8-21-22-12-16/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3/t20-/m0/s1
• InChIKey: BLSDIRLDACDCHQ-FQEVSTJZSA-N
• XLogP: 1.75
• TPSA: 75.63 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97373946) is (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is COc1cccc(CN2CC[C@@]3(CCN(C(=O)c4ccnnc4)C3)C2=O)c1.

What is the InChIKey of (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is BLSDIRLDACDCHQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-27-17-4-2-3-15(11-17)13-23-9-6-20(19(23)26)7-10-24(14-20)18(25)16-5-8-21-22-12-16/h2-5,8,11-12H,6-7,9-10,13-14H2,1H3/t20-/m0/s1.

What are the key properties of (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?

(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 366.42 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97373946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).