2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

C142H189F2N33O8 — CID 157254004

About 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone

2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 157254004) has the molecular formula C142H189F2N33O8 and a molecular weight of 2524.29 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
• PubChem CID: 157254004
• Molecular Formula: C142H189F2N33O8
• Molecular Weight: 2524.29 g/mol
• Exact Mass: 2522.54
• IUPAC Name: 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
• SMILES: C.CC(C)c1ccc(CC(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Oc3ccc(C(C)C)c(C)c3)CC2)nn1.Cc1ccnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)n1.Cc1cnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)cn1
• InChI: InChI=1S/C24H33N5O.C21H26F2N4O.C20H26N4O2.C20H26N4O.2C19H25N5O.C18H24N6O.CH4/c1-19(2)21-8-6-20(7-9-21)18-24(30)29-16-14-28(15-17-29)23-11-10-22(25-26-23)27-12-4-3-5-13-27;1-15-5-10-18(25-24-15)26-11-13-27(14-12-26)19(28)21(22,23)17-8-6-16(7-9-17)20(2,3)4;1-14(2)18-7-6-17(13-15(18)3)26-20(25)24-11-9-23(10-12-24)19-8-5-16(4)21-22-19;1-15(2)18-6-4-17(5-7-18)12-20(25)24-10-8-23(9-11-24)19-14-21-16(3)13-22-19;1-14(2)17-6-5-16(13-20-17)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-12-10-23(11-13-24)18-20-9-8-15(3)21-18;1-13(2)16-6-5-15(12-19-16)20-18(25)24-10-8-23(9-11-24)17-7-4-14(3)21-22-17;/h6-11,19H,3-5,12-18H2,1-2H3;5-10H,11-14H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;4-7,13-15H,8-12H2,1-3H3;4-7,13-14H,8-12H2,1-3H3;4-9,14H,10-13H2,1-3H3,(H,22,25);4-7,12-13H,8-11H2,1-3H3,(H,20,25);1H4
• InChIKey: AWRCERDKQPYLSY-UHFFFAOYSA-N
• XLogP: 22.09
• TPSA: 407.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2524.29
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The IUPAC name of 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone (CID 157254004) is 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone.

What is the SMILES notation for 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The canonical SMILES for 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is C.CC(C)c1ccc(CC(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1.Cc1ccc(N2CCN(C(=O)C(F)(F)c3ccc(C(C)(C)C)cc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Cc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Nc3ccc(C(C)C)nc3)CC2)nn1.Cc1ccc(N2CCN(C(=O)Oc3ccc(C(C)C)c(C)c3)CC2)nn1.Cc1ccnc(N2CCN(C(=O)Nc3ccc(C(C)C)cc3)CC2)n1.Cc1cnc(N2CCN(C(=O)Cc3ccc(C(C)C)cc3)CC2)cn1.

What is the InChIKey of 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

The InChIKey is AWRCERDKQPYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O.C21H26F2N4O.C20H26N4O2.C20H26N4O.2C19H25N5O.C18H24N6O.CH4/c1-19(2)21-8-6-20(7-9-21)18-24(30)29-16-14-28(15-17-29)23-11-10-22(25-26-23)27-12-4-3-5-13-27;1-15-5-10-18(25-24-15)26-11-13-27(14-12-26)19(28)21(22,23)17-8-6-16(7-9-17)20(2,3)4;1-14(2)18-7-6-17(13-15(18)3)26-20(25)24-11-9-23(10-12-24)19-8-5-16(4)21-22-19;1-15(2)18-6-4-17(5-7-18)12-20(25)24-10-8-23(9-11-24)19-14-21-16(3)13-22-19;1-14(2)17-6-5-16(13-20-17)12-19(25)24-10-8-23(9-11-24)18-7-4-15(3)21-22-18;1-14(2)16-4-6-17(7-5-16)22-19(25)24-12-10-23(11-13-24)18-20-9-8-15(3)21-18;1-13(2)16-6-5-15(12-19-16)20-18(25)24-10-8-23(9-11-24)17-7-4-14(3)21-22-17;/h6-11,19H,3-5,12-18H2,1-2H3;5-10H,11-14H2,1-4H3;5-8,13-14H,9-12H2,1-4H3;4-7,13-15H,8-12H2,1-3H3;4-7,13-14H,8-12H2,1-3H3;4-9,14H,10-13H2,1-3H3,(H,22,25);4-7,12-13H,8-11H2,1-3H3,(H,20,25);1H4.

What are the key properties of 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone?

2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 2524.29 g/mol, XLogP of 22.09, 25 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 157254004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).