1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile

C112H85Cl12N29O24 — CID 164997683

About 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile

1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile (PubChem CID 164997683) has the molecular formula C112H85Cl12N29O24 and a molecular weight of 2646.53 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile
• PubChem CID: 164997683
• Molecular Formula: C112H85Cl12N29O24
• Molecular Weight: 2646.53 g/mol
• Exact Mass: 2639.26
• IUPAC Name: 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile
• SMILES: CC(C)N1C(=O)CC=C(Oc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)C1=O.CC(C)c1cn(Cc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)c(=O)[nH]c1=O.CC(C)c1cn(Cc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)cnc1=O.CC(C)c1cncn(Cc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)c1=O.CC(C)n1cc(Oc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)c(=O)[nH]c1=O.CC(C)n1cc(Oc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)cnc1=O
• InChI: InChI=1S/C19H15Cl2N5O4.2C19H15Cl2N5O3.C19H14Cl2N4O5.C18H13Cl2N5O5.C18H13Cl2N5O4/c1-9(2)11-7-25(19(30)23-18(11)29)8-12-13(20)3-10(4-14(12)21)26-17(28)5-16(27)15(6-22)24-26;1-10(2)12-7-25(9-23-19(12)29)8-13-14(20)3-11(4-15(13)21)26-18(28)5-17(27)16(6-22)24-26;1-10(2)12-7-23-9-25(19(12)29)8-13-14(20)3-11(4-15(13)21)26-18(28)5-17(27)16(6-22)24-26;1-9(2)24-16(27)4-3-15(19(24)29)30-18-11(20)5-10(6-12(18)21)25-17(28)7-14(26)13(8-22)23-25;1-8(2)24-7-14(17(28)22-18(24)29)30-16-10(19)3-9(4-11(16)20)25-15(27)5-13(26)12(6-21)23-25;1-9(2)24-8-11(7-22-18(24)28)29-17-12(19)3-10(4-13(17)20)25-16(27)5-15(26)14(6-21)23-25/h3-4,7,9H,5,8H2,1-2H3,(H,23,29,30);2*3-4,7,9-10H,5,8H2,1-2H3;3,5-6,9H,4,7H2,1-2H3;3-4,7-8H,5H2,1-2H3,(H,22,28,29);3-4,7-9H,5H2,1-2H3
• InChIKey: HUAQLJUIFIDDJC-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 720.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 44
• Rotatable Bonds: 24
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2646.53
LogP ≤ 5	16.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyano_imine_D(1)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile?

The IUPAC name of 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile (CID 164997683) is 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile.

What is the SMILES notation for 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile?

The canonical SMILES for 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile is CC(C)N1C(=O)CC=C(Oc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)C1=O.CC(C)c1cn(Cc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)c(=O)[nH]c1=O.CC(C)c1cn(Cc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)cnc1=O.CC(C)c1cncn(Cc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)c1=O.CC(C)n1cc(Oc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)c(=O)[nH]c1=O.CC(C)n1cc(Oc2c(Cl)cc(N3N=C(C#N)C(=O)CC3=O)cc2Cl)cnc1=O.

What is the InChIKey of 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile?

The InChIKey is HUAQLJUIFIDDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O4.2C19H15Cl2N5O3.C19H14Cl2N4O5.C18H13Cl2N5O5.C18H13Cl2N5O4/c1-9(2)11-7-25(19(30)23-18(11)29)8-12-13(20)3-10(4-14(12)21)26-17(28)5-16(27)15(6-22)24-26;1-10(2)12-7-25(9-23-19(12)29)8-13-14(20)3-11(4-15(13)21)26-18(28)5-17(27)16(6-22)24-26;1-10(2)12-7-23-9-25(19(12)29)8-13-14(20)3-11(4-15(13)21)26-18(28)5-17(27)16(6-22)24-26;1-9(2)24-16(27)4-3-15(19(24)29)30-18-11(20)5-10(6-12(18)21)25-17(28)7-14(26)13(8-22)23-25;1-8(2)24-7-14(17(28)22-18(24)29)30-16-10(19)3-9(4-11(16)20)25-15(27)5-13(26)12(6-21)23-25;1-9(2)24-8-11(7-22-18(24)28)29-17-12(19)3-10(4-13(17)20)25-16(27)5-15(26)14(6-21)23-25/h3-4,7,9H,5,8H2,1-2H3,(H,23,29,30);2*3-4,7,9-10H,5,8H2,1-2H3;3,5-6,9H,4,7H2,1-2H3;3-4,7-8H,5H2,1-2H3,(H,22,28,29);3-4,7-9H,5H2,1-2H3.

What are the key properties of 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile?

1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile has a molecular weight of 2646.53 g/mol, XLogP of 16.13, 24 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-dichloro-4-[(2,6-dioxo-1-propan-2-yl-3H-pyridin-5-yl)oxy]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(4-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-[(6-oxo-5-propan-2-ylpyrimidin-1-yl)methyl]phenyl]-4,6-dioxopyridazine-3-carbonitrile;1-[3,5-dichloro-4-(2-oxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-4,6-dioxopyridazine-3-carbonitrile is sourced from PubChem (CID 164997683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).