4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one

C99H99N29O12 — CID 158034950

About 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one

4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one (PubChem CID 158034950) has the molecular formula C99H99N29O12 and a molecular weight of 1887.07 g/mol. Its IUPAC name is 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

• Compound Name: 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one
• PubChem CID: 158034950
• Molecular Formula: C99H99N29O12
• Molecular Weight: 1887.07 g/mol
• Exact Mass: 1885.80
• IUPAC Name: 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one
• SMILES: C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4cc(C)ccn4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccc(C)cn4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccc(C)nn4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4cccc(C)n4)cc3)c3c(N)n[nH]c(=O)c32)C1
• InChI: InChI=1S/3C25H25N7O3.C24H24N8O3/c1-3-20(33)31-13-5-7-17(14-31)32-23-21(24(26)28-29-25(23)34)22(30-32)16-9-11-18(12-10-16)35-19-8-4-6-15(2)27-19;1-3-20(33)31-12-4-5-17(14-31)32-23-21(24(26)28-29-25(23)34)22(30-32)16-7-9-18(10-8-16)35-19-11-6-15(2)13-27-19;1-3-20(33)31-12-4-5-17(14-31)32-23-21(24(26)28-29-25(23)34)22(30-32)16-6-8-18(9-7-16)35-19-13-15(2)10-11-27-19;1-3-19(33)31-12-4-5-16(13-31)32-22-20(23(25)28-29-24(22)34)21(30-32)15-7-9-17(10-8-15)35-18-11-6-14(2)26-27-18/h3-4,6,8-12,17H,1,5,7,13-14H2,2H3,(H2,26,28)(H,29,34);2*3,6-11,13,17H,1,4-5,12,14H2,2H3,(H2,26,28)(H,29,34);3,6-11,16H,1,4-5,12-13H2,2H3,(H2,25,28)(H,29,34)
• InChIKey: FHQCOJMONFQHJP-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 540.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1887.07
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one?

The IUPAC name of 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one (CID 158034950) is 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one.

What is the SMILES notation for 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one?

The canonical SMILES for 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one is C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4cc(C)ccn4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccc(C)cn4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccc(C)nn4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4cccc(C)n4)cc3)c3c(N)n[nH]c(=O)c32)C1.

What is the InChIKey of 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one?

The InChIKey is FHQCOJMONFQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H25N7O3.C24H24N8O3/c1-3-20(33)31-13-5-7-17(14-31)32-23-21(24(26)28-29-25(23)34)22(30-32)16-9-11-18(12-10-16)35-19-8-4-6-15(2)27-19;1-3-20(33)31-12-4-5-17(14-31)32-23-21(24(26)28-29-25(23)34)22(30-32)16-7-9-18(10-8-16)35-19-11-6-15(2)13-27-19;1-3-20(33)31-12-4-5-17(14-31)32-23-21(24(26)28-29-25(23)34)22(30-32)16-6-8-18(9-7-16)35-19-13-15(2)10-11-27-19;1-3-19(33)31-12-4-5-16(13-31)32-22-20(23(25)28-29-24(22)34)21(30-32)15-7-9-17(10-8-15)35-18-11-6-14(2)26-27-18/h3-4,6,8-12,17H,1,5,7,13-14H2,2H3,(H2,26,28)(H,29,34);2*3,6-11,13,17H,1,4-5,12,14H2,2H3,(H2,26,28)(H,29,34);3,6-11,16H,1,4-5,12-13H2,2H3,(H2,25,28)(H,29,34).

What are the key properties of 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one?

4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 1887.07 g/mol, XLogP of 12.25, 20 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-[4-(6-methylpyridazin-3-yl)oxyphenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(4-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-[4-[(6-methyl-2-pyridinyl)oxy]phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 158034950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).