N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine

C173H194ClF2N45O3 — CID 162126840

About N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine

N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine (PubChem CID 162126840) has the molecular formula C173H194ClF2N45O3 and a molecular weight of 3025.22 g/mol. Its IUPAC name is N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine
• PubChem CID: 162126840
• Molecular Formula: C173H194ClF2N45O3
• Molecular Weight: 3025.22 g/mol
• Exact Mass: 3022.61
• IUPAC Name: N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine
• SMILES: CC(C)c1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c(C)c2C)CC1.Cc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1nc(Cl)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccccc3F)CC2)c2ccccc12
• InChI: InChI=1S/C27H32N6.C25H27N7O2.2C25H28N6.C24H26ClN7.C24H24FN7O.C23H29FN6/c1-19(2)22-9-5-4-8-20(22)18-28-21-13-16-33(17-14-21)27-24-11-7-6-10-23(24)26(30-31-27)25-12-15-29-32(25)3;1-31-22(11-14-26-31)23-20-5-3-4-6-21(20)24(30-29-23)32-15-12-18(13-16-32)28-25(33)27-17-7-9-19(34-2)10-8-17;2*1-18-7-3-4-8-19(18)17-26-20-12-15-31(16-13-20)25-22-10-6-5-9-21(22)24(28-29-25)23-11-14-27-30(23)2;1-16-17(7-8-22(25)28-16)15-26-18-10-13-32(14-11-18)24-20-6-4-3-5-19(20)23(29-30-24)21-9-12-27-31(21)2;1-31-21(10-13-26-31)22-17-6-2-3-7-18(17)23(30-29-22)32-14-11-16(12-15-32)27-24(33)28-20-9-5-4-8-19(20)25;1-15-13-19(24)6-5-18(15)14-25-20-8-11-30(12-9-20)23-17(3)16(2)22(27-28-23)21-7-10-26-29(21)4/h4-12,15,19,21,28H,13-14,16-18H2,1-3H3;3-11,14,18H,12-13,15-16H2,1-2H3,(H2,27,28,33);2*3-11,14,20,26H,12-13,15-17H2,1-2H3;3-9,12,18,26H,10-11,13-15H2,1-2H3;2-10,13,16H,11-12,14-15H2,1H3,(H2,27,28,33);5-7,10,13,20,25H,8-9,11-12,14H2,1-4H3
• InChIKey: ZIDKFQIPUXOYEV-UHFFFAOYSA-N
• XLogP: 28.74
• TPSA: 492.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 44
• Rotatable Bonds: 35
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3025.22
LogP ≤ 5	28.74
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine?

The IUPAC name of N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine (CID 162126840) is N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine.

What is the SMILES notation for N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine?

The canonical SMILES for N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine is CC(C)c1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1ccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c(C)c2C)CC1.Cc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1ccccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1nc(Cl)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccccc3F)CC2)c2ccccc12.

What is the InChIKey of N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine?

The InChIKey is ZIDKFQIPUXOYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6.C25H27N7O2.2C25H28N6.C24H26ClN7.C24H24FN7O.C23H29FN6/c1-19(2)22-9-5-4-8-20(22)18-28-21-13-16-33(17-14-21)27-24-11-7-6-10-23(24)26(30-31-27)25-12-15-29-32(25)3;1-31-22(11-14-26-31)23-20-5-3-4-6-21(20)24(30-29-23)32-15-12-18(13-16-32)28-25(33)27-17-7-9-19(34-2)10-8-17;2*1-18-7-3-4-8-19(18)17-26-20-12-15-31(16-13-20)25-22-10-6-5-9-21(22)24(28-29-25)23-11-14-27-30(23)2;1-16-17(7-8-22(25)28-16)15-26-18-10-13-32(14-11-18)24-20-6-4-3-5-19(20)23(29-30-24)21-9-12-27-31(21)2;1-31-21(10-13-26-31)22-17-6-2-3-7-18(17)23(30-29-22)32-14-11-16(12-15-32)27-24(33)28-20-9-5-4-8-19(20)25;1-15-13-19(24)6-5-18(15)14-25-20-8-11-30(12-9-20)23-17(3)16(2)22(27-28-23)21-7-10-26-29(21)4/h4-12,15,19,21,28H,13-14,16-18H2,1-3H3;3-11,14,18H,12-13,15-16H2,1-2H3,(H2,27,28,33);2*3-11,14,20,26H,12-13,15-17H2,1-2H3;3-9,12,18,26H,10-11,13-15H2,1-2H3;2-10,13,16H,11-12,14-15H2,1H3,(H2,27,28,33);5-7,10,13,20,25H,8-9,11-12,14H2,1-4H3.

What are the key properties of N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine?

N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine has a molecular weight of 3025.22 g/mol, XLogP of 28.74, 35 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine;1-(2-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(4-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;bis(N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine);1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(2-propan-2-ylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 162126840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).