1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone

C30H41N7O2 — CID 137464912

About 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone

1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone (PubChem CID 137464912) has the molecular formula C30H41N7O2 and a molecular weight of 531.71 g/mol. Its IUPAC name is 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone.

Molecular Properties

• Compound Name: 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone
• PubChem CID: 137464912
• Molecular Formula: C30H41N7O2
• Molecular Weight: 531.71 g/mol
• Exact Mass: 531.33
• IUPAC Name: 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone
• SMILES: CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)N(C(=O)CC2CCNCC2)C(C)(C)C1
• InChI: InChI=1S/C30H41N7O2/c1-29(2)16-23(17-30(3,4)37(29)28(39)14-20-10-12-31-13-11-20)36(5)27-9-8-25(34-35-27)24-7-6-21(15-26(24)38)22-18-32-33-19-22/h6-9,15,18-20,23,31,38H,10-14,16-17H2,1-5H3,(H,32,33)
• InChIKey: ACHKDNVOTIRSKX-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 110.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.71
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone?

The IUPAC name of 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone (CID 137464912) is 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone.

What is the SMILES notation for 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone?

The canonical SMILES for 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone is CN(c1ccc(-c2ccc(-c3cn[nH]c3)cc2O)nn1)C1CC(C)(C)N(C(=O)CC2CCNCC2)C(C)(C)C1.

What is the InChIKey of 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone?

The InChIKey is ACHKDNVOTIRSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N7O2/c1-29(2)16-23(17-30(3,4)37(29)28(39)14-20-10-12-31-13-11-20)36(5)27-9-8-25(34-35-27)24-7-6-21(15-26(24)38)22-18-32-33-19-22/h6-9,15,18-20,23,31,38H,10-14,16-17H2,1-5H3,(H,32,33).

What are the key properties of 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone?

1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone has a molecular weight of 531.71 g/mol, XLogP of 4.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[6-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]pyridazin-3-yl]-methylamino]-2,2,6,6-tetramethylpiperidin-1-yl]-2-piperidin-4-ylethanone is sourced from PubChem (CID 137464912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).