2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one

C41H49N13O2 — CID 157151581

About 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one

2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one (PubChem CID 157151581) has the molecular formula C41H49N13O2 and a molecular weight of 755.93 g/mol. Its IUPAC name is 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one
• PubChem CID: 157151581
• Molecular Formula: C41H49N13O2
• Molecular Weight: 755.93 g/mol
• Exact Mass: 755.41
• IUPAC Name: 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one
• SMILES: CN(c1ccc(-c2ccc(-c3cn[nH]c3)[nH]c2=O)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC3(CCNC3)C2)nn1
• InChI: InChI=1S/C22H29N7O.C19H20N6O/c1-21(2)10-15(11-22(3,4)28-21)29(5)19-9-8-18(26-27-19)16-6-7-17(25-20(16)30)14-12-23-24-13-14;26-17-7-13(14-8-21-22-9-14)1-2-15(17)16-3-4-18(24-23-16)25-11-19(12-25)5-6-20-10-19/h6-9,12-13,15,28H,10-11H2,1-5H3,(H,23,24)(H,25,30);1-4,7-9,20,26H,5-6,10-12H2,(H,21,22)
• InChIKey: ALHWAQGOCSOQSV-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 192.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	755.93
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one?

The IUPAC name of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one (CID 157151581) is 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one.

What is the SMILES notation for 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one?

The canonical SMILES for 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one is CN(c1ccc(-c2ccc(-c3cn[nH]c3)[nH]c2=O)nn1)C1CC(C)(C)NC(C)(C)C1.Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CC3(CCNC3)C2)nn1.

What is the InChIKey of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one?

The InChIKey is ALHWAQGOCSOQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O.C19H20N6O/c1-21(2)10-15(11-22(3,4)28-21)29(5)19-9-8-18(26-27-19)16-6-7-17(25-20(16)30)14-12-23-24-13-14;26-17-7-13(14-8-21-22-9-14)1-2-15(17)16-3-4-18(24-23-16)25-11-19(12-25)5-6-20-10-19/h6-9,12-13,15,28H,10-11H2,1-5H3,(H,23,24)(H,25,30);1-4,7-9,20,26H,5-6,10-12H2,(H,21,22).

What are the key properties of 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one?

2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one has a molecular weight of 755.93 g/mol, XLogP of 5.01, 7 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2,7-diazaspiro[3.4]octan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;3-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-6-(1H-pyrazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 157151581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).