1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea

C120H136F4N34O5 — CID 160770850

About 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea

1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea (PubChem CID 160770850) has the molecular formula C120H136F4N34O5 and a molecular weight of 2210.63 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea.

Molecular Properties

• Compound Name: 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
• PubChem CID: 160770850
• Molecular Formula: C120H136F4N34O5
• Molecular Weight: 2210.63 g/mol
• Exact Mass: 2209.14
• IUPAC Name: 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea
• SMILES: CN(Cc1ccccc1OC(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c2ccccc12
• InChI: InChI=1S/C26H28F2N6O.2C24H24FN7O.C24H31N7O.C22H29N7O/c1-32(17-18-7-3-6-10-23(18)35-26(27)28)19-12-15-34(16-13-19)25-21-9-5-4-8-20(21)24(30-31-25)22-11-14-29-33(22)2;1-31-21(9-12-26-31)22-19-7-2-3-8-20(19)23(30-29-22)32-13-10-17(11-14-32)27-24(33)28-18-6-4-5-16(25)15-18;1-31-21(10-13-26-31)22-19-4-2-3-5-20(19)23(30-29-22)32-14-11-18(12-15-32)28-24(33)27-17-8-6-16(25)7-9-17;1-30-21(11-14-25-30)22-19-9-5-6-10-20(19)23(29-28-22)31-15-12-18(13-16-31)27-24(32)26-17-7-3-2-4-8-17;1-22(2,3)25-21(30)24-15-10-13-29(14-11-15)20-17-8-6-5-7-16(17)19(26-27-20)18-9-12-23-28(18)4/h3-11,14,19,26H,12-13,15-17H2,1-2H3;2-9,12,15,17H,10-11,13-14H2,1H3,(H2,27,28,33);2-10,13,18H,11-12,14-15H2,1H3,(H2,27,28,33);5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H2,26,27,32);5-9,12,15H,10-11,13-14H2,1-4H3,(H2,24,25,30)
• InChIKey: RZHHWYZKKYZTOZ-UHFFFAOYSA-N
• XLogP: 19.38
• TPSA: 411.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 22
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2210.63
LogP ≤ 5	19.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea?

The IUPAC name of 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea (CID 160770850) is 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea.

What is the SMILES notation for 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea?

The canonical SMILES for 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea is CN(Cc1ccccc1OC(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC(C)(C)C)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3cccc(F)c3)CC2)c2ccccc12.

What is the InChIKey of 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea?

The InChIKey is RZHHWYZKKYZTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O.2C24H24FN7O.C24H31N7O.C22H29N7O/c1-32(17-18-7-3-6-10-23(18)35-26(27)28)19-12-15-34(16-13-19)25-21-9-5-4-8-20(21)24(30-31-25)22-11-14-29-33(22)2;1-31-21(9-12-26-31)22-19-7-2-3-8-20(19)23(30-29-22)32-13-10-17(11-14-32)27-24(33)28-18-6-4-5-16(25)15-18;1-31-21(10-13-26-31)22-19-4-2-3-5-20(19)23(30-29-22)32-14-11-18(12-15-32)28-24(33)27-17-8-6-16(25)7-9-17;1-30-21(11-14-25-30)22-19-9-5-6-10-20(19)23(29-28-22)31-15-12-18(13-16-31)27-24(32)26-17-7-3-2-4-8-17;1-22(2,3)25-21(30)24-15-10-13-29(14-11-15)20-17-8-6-5-7-16(17)19(26-27-20)18-9-12-23-28(18)4/h3-11,14,19,26H,12-13,15-17H2,1-2H3;2-9,12,15,17H,10-11,13-14H2,1H3,(H2,27,28,33);2-10,13,18H,11-12,14-15H2,1H3,(H2,27,28,33);5-6,9-11,14,17-18H,2-4,7-8,12-13,15-16H2,1H3,(H2,26,27,32);5-9,12,15H,10-11,13-14H2,1-4H3,(H2,24,25,30).

What are the key properties of 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea?

1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea has a molecular weight of 2210.63 g/mol, XLogP of 19.38, 22 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea is sourced from PubChem (CID 160770850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).