7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H23FN4O2 — CID 45170196

About 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45170196) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45170196
• Molecular Formula: C20H23FN4O2
• Molecular Weight: 370.43 g/mol
• Exact Mass: 370.18
• IUPAC Name: 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: Cc1[nH]ncc1C(=O)N1CCC2(CCCN(Cc3ccccc3F)C2=O)C1
• InChI: InChI=1S/C20H23FN4O2/c1-14-16(11-22-23-14)18(26)25-10-8-20(13-25)7-4-9-24(19(20)27)12-15-5-2-3-6-17(15)21/h2-3,5-6,11H,4,7-10,12-13H2,1H3,(H,22,23)
• InChIKey: VFSQPNZLVPJXLS-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.43
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45170196) is 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1[nH]ncc1C(=O)N1CCC2(CCCN(Cc3ccccc3F)C2=O)C1.

What is the InChIKey of 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is VFSQPNZLVPJXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-14-16(11-22-23-14)18(26)25-10-8-20(13-25)7-4-9-24(19(20)27)12-15-5-2-3-6-17(15)21/h2-3,5-6,11H,4,7-10,12-13H2,1H3,(H,22,23).

What are the key properties of 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?

7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 370.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45170196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).