2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

C24H24N4O2 — CID 54078437

About 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (PubChem CID 54078437) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
• PubChem CID: 54078437
• Molecular Formula: C24H24N4O2
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.19
• IUPAC Name: 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one
• SMILES: CC1(O)CCCC[C@H]1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
• InChI: InChI=1S/C24H24N4O2/c1-24(30)15-7-5-12-20(24)28-21(29)14-13-18(25-28)22-19-11-6-8-16-27(19)26-23(22)17-9-3-2-4-10-17/h2-4,6,8-11,13-14,16,20,30H,5,7,12,15H2,1H3/t20-,24?/m1/s1
• InChIKey: MLJJCEDFKCCBEZ-CGHJUBPDSA-N
• XLogP: 4.09
• TPSA: 72.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?

The IUPAC name of 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one (CID 54078437) is 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one.

What is the SMILES notation for 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?

The canonical SMILES for 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is CC1(O)CCCC[C@H]1n1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O.

What is the InChIKey of 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?

The InChIKey is MLJJCEDFKCCBEZ-CGHJUBPDSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-24(30)15-7-5-12-20(24)28-21(29)14-13-18(25-28)22-19-11-6-8-16-27(19)26-23(22)17-9-3-2-4-10-17/h2-4,6,8-11,13-14,16,20,30H,5,7,12,15H2,1H3/t20-,24?/m1/s1.

What are the key properties of 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one?

2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one has a molecular weight of 400.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-2-hydroxy-2-methylcyclohexyl]-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one is sourced from PubChem (CID 54078437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).