6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one

C23H33N5O — CID 126862656

About 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862656) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one
• PubChem CID: 126862656
• Molecular Formula: C23H33N5O
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.27
• IUPAC Name: 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one
• SMILES: CC1CCc2nnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)cc2C1
• InChI: InChI=1S/C23H33N5O/c1-16-5-6-19-18(13-16)14-21(25-24-19)27-11-9-17(10-12-27)15-28-22(29)8-7-20(26-28)23(2,3)4/h7-8,14,16-17H,5-6,9-13,15H2,1-4H3
• InChIKey: YPIWOJHFIKHNPP-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 63.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one?

The IUPAC name of 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862656) is 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one.

What is the SMILES notation for 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one?

The canonical SMILES for 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one is CC1CCc2nnc(N3CCC(Cn4nc(C(C)(C)C)ccc4=O)CC3)cc2C1.

What is the InChIKey of 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one?

The InChIKey is YPIWOJHFIKHNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16-5-6-19-18(13-16)14-21(25-24-19)27-11-9-17(10-12-27)15-28-22(29)8-7-20(26-28)23(2,3)4/h7-8,14,16-17H,5-6,9-13,15H2,1-4H3.

What are the key properties of 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one?

6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 395.55 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).