N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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

C120H113N31O15 — CID 159874376

About N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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

N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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 159874376) has the molecular formula C120H113N31O15 and a molecular weight of 2229.43 g/mol. Its IUPAC name is N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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: N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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: 159874376
• Molecular Formula: C120H113N31O15
• Molecular Weight: 2229.43 g/mol
• Exact Mass: 2227.90
• IUPAC Name: N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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)N(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c21.C=CC(=O)N1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)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(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1
• InChI: InChI=1S/C26H26N6O3.C24H23N7O3.C24H22N6O3.C23H20N6O3.C23H22N6O3/c1-2-21(33)28-17-7-6-8-18(15-17)32-24-22(25(27)29-30-26(24)34)23(31-32)16-11-13-20(14-12-16)35-19-9-4-3-5-10-19;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;1-2-19(31)29-13-12-16(14-29)30-22-20(23(25)26-27-24(22)32)21(28-30)15-8-10-18(11-9-15)33-17-6-4-3-5-7-17;1-2-18(30)28-12-15(13-28)29-21-19(22(24)25-26-23(21)31)20(27-29)14-8-10-17(11-9-14)32-16-6-4-3-5-7-16;1-3-18(30)28(2)13-14-29-21-19(22(24)25-26-23(21)31)20(27-29)15-9-11-17(12-10-15)32-16-7-5-4-6-8-16/h2-5,9-14,17-18H,1,6-8,15H2,(H2,27,29)(H,28,33)(H,30,34);2-4,7-12,16H,1,5-6,13-14H2,(H2,25,27)(H,28,33);2-11,16H,1,12-14H2,(H2,25,26)(H,27,32);2-11,15H,1,12-13H2,(H2,24,25)(H,26,31);3-12H,1,13-14H2,2H3,(H2,24,25)(H,26,31)
• InChIKey: NSSGZVHMCPBSNF-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 617.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.43
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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 N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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 159874376) is N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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 N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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 N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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)N(C)CCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c(=O)c21.C=CC(=O)N1CC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1.C=CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)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(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)n[nH]c(=O)c32)C1.

What is the InChIKey of N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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 NSSGZVHMCPBSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3.C24H23N7O3.C24H22N6O3.C23H20N6O3.C23H22N6O3/c1-2-21(33)28-17-7-6-8-18(15-17)32-24-22(25(27)29-30-26(24)34)23(31-32)16-11-13-20(14-12-16)35-19-9-4-3-5-10-19;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;1-2-19(31)29-13-12-16(14-29)30-22-20(23(25)26-27-24(22)32)21(28-30)15-8-10-18(11-9-15)33-17-6-4-3-5-7-17;1-2-18(30)28-12-15(13-28)29-21-19(22(24)25-26-23(21)31)20(27-29)14-8-10-17(11-9-14)32-16-6-4-3-5-7-16;1-3-18(30)28(2)13-14-29-21-19(22(24)25-26-23(21)31)20(27-29)15-9-11-17(12-10-15)32-16-7-5-4-6-8-16/h2-5,9-14,17-18H,1,6-8,15H2,(H2,27,29)(H,28,33)(H,30,34);2-4,7-12,16H,1,5-6,13-14H2,(H2,25,27)(H,28,33);2-11,16H,1,12-14H2,(H2,25,26)(H,27,32);2-11,15H,1,12-13H2,(H2,24,25)(H,26,31);3-12H,1,13-14H2,2H3,(H2,24,25)(H,26,31).

What are the key properties of N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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?

N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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 2229.43 g/mol, XLogP of 15.51, 28 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]cyclohexyl]prop-2-enamide;N-[2-[4-amino-7-oxo-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-1-yl]ethyl]-N-methylprop-2-enamide;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylazetidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpyrrolidin-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 159874376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).