1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine

C150H171F5N42O3 — CID 158775110

About 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine

1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine (PubChem CID 158775110) has the molecular formula C150H171F5N42O3 and a molecular weight of 2705.30 g/mol. Its IUPAC name is 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine
• PubChem CID: 158775110
• Molecular Formula: C150H171F5N42O3
• Molecular Weight: 2705.30 g/mol
• Exact Mass: 2703.44
• IUPAC Name: 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine
• SMILES: CN(Cc1ccc(C(C)(C)O)cn1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(C(F)(F)F)cn1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-n3cc[nH]c3=O)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(N3CCNC3=O)c3ccccc23)CC1.Cc1ccnnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cncnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
• InChI: InChI=1S/C27H33N7O.C25H26F3N7.C25H29FN6O.C25H27FN6O.2C24H28N8/c1-27(2,35)19-9-10-20(28-17-19)18-32(3)21-12-15-34(16-13-21)26-23-8-6-5-7-22(23)25(30-31-26)24-11-14-29-33(24)4;1-33(16-18-8-7-17(15-29-18)25(26,27)28)19-10-13-35(14-11-19)24-21-6-4-3-5-20(21)23(31-32-24)22-9-12-30-34(22)2;2*1-17-15-19(26)8-7-18(17)16-30(2)20-9-12-31(13-10-20)23-21-5-3-4-6-22(21)24(29-28-23)32-14-11-27-25(32)33;1-17-8-12-25-27-21(17)16-30(2)18-10-14-32(15-11-18)24-20-7-5-4-6-19(20)23(28-29-24)22-9-13-26-31(22)3;1-17-14-25-16-26-21(17)15-30(2)18-9-12-32(13-10-18)24-20-7-5-4-6-19(20)23(28-29-24)22-8-11-27-31(22)3/h5-11,14,17,21,35H,12-13,15-16,18H2,1-4H3;3-9,12,15,19H,10-11,13-14,16H2,1-2H3;3-8,15,20H,9-14,16H2,1-2H3,(H,27,33);3-8,11,14-15,20H,9-10,12-13,16H2,1-2H3,(H,27,33);4-9,12-13,18H,10-11,14-16H2,1-3H3;4-8,11,14,16,18H,9-10,12-13,15H2,1-3H3
• InChIKey: IQJJSZUYHWLMED-UHFFFAOYSA-N
• XLogP: 22.12
• TPSA: 432.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 31
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2705.30
LogP ≤ 5	22.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine?

The IUPAC name of 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine (CID 158775110) is 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine.

What is the SMILES notation for 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine?

The canonical SMILES for 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine is CN(Cc1ccc(C(C)(C)O)cn1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(C(F)(F)F)cn1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-n3cc[nH]c3=O)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(N3CCNC3=O)c3ccccc23)CC1.Cc1ccnnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cncnc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.

What is the InChIKey of 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine?

The InChIKey is IQJJSZUYHWLMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O.C25H26F3N7.C25H29FN6O.C25H27FN6O.2C24H28N8/c1-27(2,35)19-9-10-20(28-17-19)18-32(3)21-12-15-34(16-13-21)26-23-8-6-5-7-22(23)25(30-31-26)24-11-14-29-33(24)4;1-33(16-18-8-7-17(15-29-18)25(26,27)28)19-10-13-35(14-11-19)24-21-6-4-3-5-20(21)23(31-32-24)22-9-12-30-34(22)2;2*1-17-15-19(26)8-7-18(17)16-30(2)20-9-12-31(13-10-20)23-21-5-3-4-6-22(21)24(29-28-23)32-14-11-27-25(32)33;1-17-8-12-25-27-21(17)16-30(2)18-10-14-32(15-11-18)24-20-7-5-4-6-19(20)23(28-29-24)22-9-13-26-31(22)3;1-17-14-25-16-26-21(17)15-30(2)18-9-12-32(13-10-18)24-20-7-5-4-6-19(20)23(28-29-24)22-8-11-27-31(22)3/h5-11,14,17,21,35H,12-13,15-16,18H2,1-4H3;3-9,12,15,19H,10-11,13-14,16H2,1-2H3;3-8,15,20H,9-14,16H2,1-2H3,(H,27,33);3-8,11,14-15,20H,9-10,12-13,16H2,1-2H3,(H,27,33);4-9,12-13,18H,10-11,14-16H2,1-3H3;4-8,11,14,16,18H,9-10,12-13,15H2,1-3H3.

What are the key properties of 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine?

1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine has a molecular weight of 2705.30 g/mol, XLogP of 22.12, 31 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine is sourced from PubChem (CID 158775110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).