N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine

C150H149F12N41O7 — CID 158332936

About N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine (PubChem CID 158332936) has the molecular formula C150H149F12N41O7 and a molecular weight of 2866.10 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
• PubChem CID: 158332936
• Molecular Formula: C150H149F12N41O7
• Molecular Weight: 2866.10 g/mol
• Exact Mass: 2864.24
• IUPAC Name: N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
• SMILES: COc1cccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccccc3C(F)(F)F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(OC(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccccc3OC(F)F)CC2)c2ccccc12.[C-]#[N+]c1cccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c1
• InChI: InChI=1S/C25H23F4N7O.C25H24F3N7O.C25H25F3N6O.C25H26F2N6O.C25H24N8O.C25H27N7O2/c1-35-21(8-11-30-35)22-17-4-2-3-5-18(17)23(34-33-22)36-12-9-16(10-13-36)31-24(37)32-20-7-6-15(26)14-19(20)25(27,28)29;1-34-21(10-13-29-34)22-17-6-2-3-7-18(17)23(33-32-22)35-14-11-16(12-15-35)30-24(36)31-20-9-5-4-8-19(20)25(26,27)28;1-33-22(10-13-30-33)23-20-4-2-3-5-21(20)24(32-31-23)34-14-11-18(12-15-34)29-16-17-6-8-19(9-7-17)35-25(26,27)28;1-32-21(10-13-29-32)23-19-7-3-4-8-20(19)24(31-30-23)33-14-11-18(12-15-33)28-16-17-6-2-5-9-22(17)34-25(26)27;1-26-18-6-5-7-19(16-18)29-25(34)28-17-11-14-33(15-12-17)24-21-9-4-3-8-20(21)23(30-31-24)22-10-13-27-32(22)2;1-31-22(10-13-26-31)23-20-8-3-4-9-21(20)24(30-29-23)32-14-11-17(12-15-32)27-25(33)28-18-6-5-7-19(16-18)34-2/h2-8,11,14,16H,9-10,12-13H2,1H3,(H2,31,32,37);2-10,13,16H,11-12,14-15H2,1H3,(H2,30,31,36);2-10,13,18,29H,11-12,14-16H2,1H3;2-10,13,18,25,28H,11-12,14-16H2,1H3;3-10,13,16-17H,11-12,14-15H2,2H3,(H2,28,29,34);3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,27,28,33)
• InChIKey: GQFPNTQXAVECRI-UHFFFAOYSA-N
• XLogP: 27.10
• TPSA: 501.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2866.10
LogP ≤ 5	27.10
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?

The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine (CID 158332936) is N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine.

What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?

The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine is COc1cccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c1.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccc(F)cc3C(F)(F)F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NC(=O)Nc3ccccc3C(F)(F)F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(OC(F)(F)F)cc3)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccccc3OC(F)F)CC2)c2ccccc12.[C-]#[N+]c1cccc(NC(=O)NC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c1.

What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?

The InChIKey is GQFPNTQXAVECRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F4N7O.C25H24F3N7O.C25H25F3N6O.C25H26F2N6O.C25H24N8O.C25H27N7O2/c1-35-21(8-11-30-35)22-17-4-2-3-5-18(17)23(34-33-22)36-12-9-16(10-13-36)31-24(37)32-20-7-6-15(26)14-19(20)25(27,28)29;1-34-21(10-13-29-34)22-17-6-2-3-7-18(17)23(33-32-22)35-14-11-16(12-15-35)30-24(36)31-20-9-5-4-8-19(20)25(26,27)28;1-33-22(10-13-30-33)23-20-4-2-3-5-21(20)24(32-31-23)34-14-11-18(12-15-34)29-16-17-6-8-19(9-7-17)35-25(26,27)28;1-32-21(10-13-29-32)23-19-7-3-4-8-20(19)24(31-30-23)33-14-11-18(12-15-33)28-16-17-6-2-5-9-22(17)34-25(26)27;1-26-18-6-5-7-19(16-18)29-25(34)28-17-11-14-33(15-12-17)24-21-9-4-3-8-20(21)23(30-31-24)22-10-13-27-32(22)2;1-31-22(10-13-26-31)23-20-8-3-4-9-21(20)24(30-29-23)32-14-11-17(12-15-32)27-25(33)28-18-6-5-7-19(16-18)34-2/h2-8,11,14,16H,9-10,12-13H2,1H3,(H2,31,32,37);2-10,13,16H,11-12,14-15H2,1H3,(H2,30,31,36);2-10,13,18,29H,11-12,14-16H2,1H3;2-10,13,18,25,28H,11-12,14-16H2,1H3;3-10,13,16-17H,11-12,14-15H2,2H3,(H2,28,29,34);3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,27,28,33).

What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine?

N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine has a molecular weight of 2866.10 g/mol, XLogP of 27.10, 30 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-[4-fluoro-2-(trifluoromethyl)phenyl]-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-isocyanophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(3-methoxyphenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea;1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 158332936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).