4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one

C100H90FN25O12 — CID 158155382

About 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one

4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one (PubChem CID 158155382) has the molecular formula C100H90FN25O12 and a molecular weight of 1852.98 g/mol. Its IUPAC name is 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one.

Molecular Properties

• Compound Name: 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one
• PubChem CID: 158155382
• Molecular Formula: C100H90FN25O12
• Molecular Weight: 1852.98 g/mol
• Exact Mass: 1851.72
• IUPAC Name: 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one
• SMILES: C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccn4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)Nc1cccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2ccc(Oc3ccccc3)cc2)c1
• InChI: InChI=1S/C26H20N6O3.C25H23FN6O3.C25H24N6O3.C24H23N7O3/c1-2-21(33)28-17-7-6-8-18(15-17)32-24(22-23(31-32)26(34)30-29-25(22)27)16-11-13-20(14-12-16)35-19-9-4-3-5-10-19;1-2-20(33)31-13-5-6-16(14-31)32-23-21(24(27)28-29-25(23)34)22(30-32)15-9-11-17(12-10-15)35-19-8-4-3-7-18(19)26;1-2-20(32)30-14-6-7-17(15-30)31-23-21(24(26)27-28-25(23)33)22(29-31)16-10-12-19(13-11-16)34-18-8-4-3-5-9-18;1-2-19(32)30-13-5-6-16(14-30)31-22-20(23(25)27-28-24(22)33)21(29-31)15-8-10-17(11-9-15)34-18-7-3-4-12-26-18/h2-15H,1H2,(H2,27,29)(H,28,33)(H,30,34);2-4,7-12,16H,1,5-6,13-14H2,(H2,27,28)(H,29,34);2-5,8-13,17H,1,6-7,14-15H2,(H2,26,27)(H,28,33);2-4,7-12,16H,1,5-6,13-14H2,(H2,25,27)(H,28,33)
• InChIKey: FVPQETPMBUNEJZ-UHFFFAOYSA-N
• XLogP: 14.34
• TPSA: 498.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1852.98
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

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-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one?

The IUPAC name of 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one (CID 158155382) is 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one.

What is the SMILES notation for 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one?

The canonical SMILES for 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one is C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4F)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccn4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)Nc1cccc(-n2nc3c(=O)[nH]nc(N)c3c2-c2ccc(Oc3ccccc3)cc2)c1.

What is the InChIKey of 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one?

The InChIKey is FVPQETPMBUNEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O3.C25H23FN6O3.C25H24N6O3.C24H23N7O3/c1-2-21(33)28-17-7-6-8-18(15-17)32-24(22-23(31-32)26(34)30-29-25(22)27)16-11-13-20(14-12-16)35-19-9-4-3-5-10-19;1-2-20(33)31-13-5-6-16(14-31)32-23-21(24(27)28-29-25(23)34)22(30-32)15-9-11-17(12-10-15)35-19-8-4-3-7-18(19)26;1-2-20(32)30-14-6-7-17(15-30)31-23-21(24(26)27-28-25(23)33)22(29-31)16-10-12-19(13-11-16)34-18-8-4-3-5-9-18;1-2-19(32)30-13-5-6-16(14-30)31-22-20(23(25)27-28-24(22)33)21(29-31)15-8-10-17(11-9-15)34-18-7-3-4-12-26-18/h2-15H,1H2,(H2,27,29)(H,28,33)(H,30,34);2-4,7-12,16H,1,5-6,13-14H2,(H2,27,28)(H,29,34);2-5,8-13,17H,1,6-7,14-15H2,(H2,26,27)(H,28,33);2-4,7-12,16H,1,5-6,13-14H2,(H2,25,27)(H,28,33).

What are the key properties of 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one?

4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one has a molecular weight of 1852.98 g/mol, XLogP of 14.34, 21 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-3-[4-(2-fluorophenoxy)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl]prop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-(4-pyridin-2-yloxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 158155382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).