5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one

C24H30N6O — CID 128968445

About 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one

5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one (PubChem CID 128968445) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one.

Molecular Properties

• Compound Name: 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one
• PubChem CID: 128968445
• Molecular Formula: C24H30N6O
• Molecular Weight: 418.55 g/mol
• Exact Mass: 418.25
• IUPAC Name: 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one
• SMILES: Cc1nn(-c2ccccc2)c(C)c1CN1CCCC(n2ncc(N3CCC3)cc2=O)C1
• InChI: InChI=1S/C24H30N6O/c1-18-23(19(2)29(26-18)20-8-4-3-5-9-20)17-27-11-6-10-21(16-27)30-24(31)14-22(15-25-30)28-12-7-13-28/h3-5,8-9,14-15,21H,6-7,10-13,16-17H2,1-2H3
• InChIKey: ZCPYZUMIIMPAMQ-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 59.19 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.55
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one?

The IUPAC name of 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one (CID 128968445) is 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one.

What is the SMILES notation for 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one?

The canonical SMILES for 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one is Cc1nn(-c2ccccc2)c(C)c1CN1CCCC(n2ncc(N3CCC3)cc2=O)C1.

What is the InChIKey of 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one?

The InChIKey is ZCPYZUMIIMPAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-18-23(19(2)29(26-18)20-8-4-3-5-9-20)17-27-11-6-10-21(16-27)30-24(31)14-22(15-25-30)28-12-7-13-28/h3-5,8-9,14-15,21H,6-7,10-13,16-17H2,1-2H3.

What are the key properties of 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one?

5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one has a molecular weight of 418.55 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(azetidin-1-yl)-2-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 128968445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).