N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate

C150H159ClF8N38O6 — CID 161317221

About N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate

N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate (PubChem CID 161317221) has the molecular formula C150H159ClF8N38O6 and a molecular weight of 2777.62 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate
• PubChem CID: 161317221
• Molecular Formula: C150H159ClF8N38O6
• Molecular Weight: 2777.62 g/mol
• Exact Mass: 2775.29
• IUPAC Name: N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate
• SMILES: CCN(Cc1ccc(F)cc1C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(Cl)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cn3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)c2ccccc12.O=C[O-].[H+]
• InChI: InChI=1S/C27H31FN6.C25H24F3N7O2.C25H25F3N6O.C25H28N6O.C24H25ClN6.C23H24FN7.CH2O2/c1-4-33(18-20-9-10-21(28)17-19(20)2)22-12-15-34(16-13-22)27-24-8-6-5-7-23(24)26(30-31-27)25-11-14-29-32(25)3;1-34-21(10-13-29-34)22-19-4-2-3-5-20(19)23(33-32-22)35-14-11-17(12-15-35)31-24(36)30-16-6-8-18(9-7-16)37-25(26,27)28;1-33-22(9-12-30-33)23-20-7-2-3-8-21(20)24(32-31-23)34-13-10-18(11-14-34)29-16-17-5-4-6-19(15-17)35-25(26,27)28;1-30-22(11-14-27-30)24-20-8-4-5-9-21(20)25(29-28-24)31-15-12-19(13-16-31)26-17-18-7-3-6-10-23(18)32-2;1-30-22(10-13-27-30)23-20-4-2-3-5-21(20)24(29-28-23)31-14-11-19(12-15-31)26-16-17-6-8-18(25)9-7-17;1-30-21(8-11-27-30)22-19-4-2-3-5-20(19)23(29-28-22)31-12-9-17(10-13-31)26-15-18-7-6-16(24)14-25-18;2-1-3/h5-11,14,17,22H,4,12-13,15-16,18H2,1-3H3;2-10,13,17H,11-12,14-15H2,1H3,(H2,30,31,36);2-9,12,15,18,29H,10-11,13-14,16H2,1H3;3-11,14,19,26H,12-13,15-17H2,1-2H3;2-10,13,19,26H,11-12,14-16H2,1H3;2-8,11,14,17,26H,9-10,12-13,15H2,1H3;1H,(H,2,3)
• InChIKey: VJQSDVMQRPSLLQ-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 454.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2777.62
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate?

The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate (CID 161317221) is N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate is CCN(Cc1ccc(F)cc1C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(Cl)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cn3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)c2ccccc12.O=C[O-].[H+].

What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate?

The InChIKey is VJQSDVMQRPSLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6.C25H24F3N7O2.C25H25F3N6O.C25H28N6O.C24H25ClN6.C23H24FN7.CH2O2/c1-4-33(18-20-9-10-21(28)17-19(20)2)22-12-15-34(16-13-22)27-24-8-6-5-7-23(24)26(30-31-27)25-11-14-29-32(25)3;1-34-21(10-13-29-34)22-19-4-2-3-5-20(19)23(33-32-22)35-14-11-17(12-15-35)31-24(36)30-16-6-8-18(9-7-16)37-25(26,27)28;1-33-22(9-12-30-33)23-20-7-2-3-8-21(20)24(32-31-23)34-13-10-18(11-14-34)29-16-17-5-4-6-19(15-17)35-25(26,27)28;1-30-22(11-14-27-30)24-20-8-4-5-9-21(20)25(29-28-24)31-15-12-19(13-16-31)26-17-18-7-3-6-10-23(18)32-2;1-30-22(10-13-27-30)23-20-4-2-3-5-21(20)24(29-28-23)31-14-11-19(12-15-31)26-16-17-6-8-18(25)9-7-17;1-30-21(8-11-27-30)22-19-4-2-3-5-20(19)23(29-28-22)31-12-9-17(10-13-31)26-15-18-7-6-16(24)14-25-18;2-1-3/h5-11,14,17,22H,4,12-13,15-16,18H2,1-3H3;2-10,13,17H,11-12,14-15H2,1H3,(H2,30,31,36);2-9,12,15,18,29H,10-11,13-14,16H2,1H3;3-11,14,19,26H,12-13,15-17H2,1-2H3;2-10,13,19,26H,11-12,14-16H2,1H3;2-8,11,14,17,26H,9-10,12-13,15H2,1H3;1H,(H,2,3).

What are the key properties of N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate?

N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate has a molecular weight of 2777.62 g/mol, XLogP of 24.42, 33 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-ethyl-N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(5-fluoro-2-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;hydron;N-[(2-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine;formate is sourced from PubChem (CID 161317221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).