3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol

C70H80N20O4 — CID 158259394

About 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol

3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol (PubChem CID 158259394) has the molecular formula C70H80N20O4 and a molecular weight of 1265.55 g/mol. Its IUPAC name is 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol
• PubChem CID: 158259394
• Molecular Formula: C70H80N20O4
• Molecular Weight: 1265.55 g/mol
• Exact Mass: 1264.67
• IUPAC Name: 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol
• SMILES: CC1(C)C=C(n2ccc3nc(-c4ccc(-c5cn[nH]c5)cc4O)cnc32)CC(C)(C)N1.CC1(C)CC(n2c(=O)[nH]c3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2cnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1
• InChI: InChI=1S/C24H26N6O.C23H27N7O2.C23H27N7O/c1-23(2)10-17(11-24(3,4)29-23)30-8-7-19-22(30)25-14-20(28-19)18-6-5-15(9-21(18)31)16-12-26-27-13-16;1-22(2)9-15(10-23(3,4)29-22)30-20-18(26-21(30)32)8-17(27-28-20)16-6-5-13(7-19(16)31)14-11-24-25-12-14;1-22(2)9-16(10-23(3,4)29-22)30-13-24-19-8-18(27-28-21(19)30)17-6-5-14(7-20(17)31)15-11-25-26-12-15/h5-10,12-14,29,31H,11H2,1-4H3,(H,26,27);5-8,11-12,15,29,31H,9-10H2,1-4H3,(H,24,25)(H,26,32);5-8,11-13,16,29,31H,9-10H2,1-4H3,(H,25,26)
• InChIKey: GHRQNPGGXRWREF-UHFFFAOYSA-N
• XLogP: 12.02
• TPSA: 320.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1265.55
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol?

The IUPAC name of 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol (CID 158259394) is 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol.

What is the SMILES notation for 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol?

The canonical SMILES for 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol is CC1(C)C=C(n2ccc3nc(-c4ccc(-c5cn[nH]c5)cc4O)cnc32)CC(C)(C)N1.CC1(C)CC(n2c(=O)[nH]c3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2cnc3cc(-c4ccc(-c5cn[nH]c5)cc4O)nnc32)CC(C)(C)N1.

What is the InChIKey of 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol?

The InChIKey is GHRQNPGGXRWREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O.C23H27N7O2.C23H27N7O/c1-23(2)10-17(11-24(3,4)29-23)30-8-7-19-22(30)25-14-20(28-19)18-6-5-15(9-21(18)31)16-12-26-27-13-16;1-22(2)9-15(10-23(3,4)29-22)30-20-18(26-21(30)32)8-17(27-28-20)16-6-5-13(7-19(16)31)14-11-24-25-12-14;1-22(2)9-16(10-23(3,4)29-22)30-13-24-19-8-18(27-28-21(19)30)17-6-5-14(7-20(17)31)15-11-25-26-12-15/h5-10,12-14,29,31H,11H2,1-4H3,(H,26,27);5-8,11-12,15,29,31H,9-10H2,1-4H3,(H,24,25)(H,26,32);5-8,11-13,16,29,31H,9-10H2,1-4H3,(H,25,26).

What are the key properties of 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol?

3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol has a molecular weight of 1265.55 g/mol, XLogP of 12.02, 9 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-hydroxy-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5H-imidazo[4,5-c]pyridazin-6-one;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol;5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 158259394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).