N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride

C199H209ClF13N49O2 — CID 158498507

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride
SMILESCC(=O)N(Cc1ccc(F)cc1C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.CN(Cc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1cccc(CNC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)nc3F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(F)c3)CC2)c2ccccc12.[Cl-].[H+]
InChIInChI=1S/C27H29FN6O.C26H26F4N6.C25H26F2N6.C25H27FN6.C25H28N6O.C24H24F2N6.C24H25FN6.C23H23F2N7.ClH/c1-18-16-21(28)9-8-20(18)17-34(19(2)35)22-11-14-33(15-12-22)27-24-7-5-4-6-23(24)26(30-31-27)25-10-13-29-32(25)3;1-34(15-17-9-10-18(27)14-22(17)26(28,29)30)19-6-5-13-36(16-19)25-21-8-4-3-7-20(21)24(32-33-25)23-11-12-31-35(23)2;1-31(16-17-7-8-18(26)15-22(17)27)19-10-13-33(14-11-19)25-21-6-4-3-5-20(21)24(29-30-25)23-9-12-28-32(23)2;1-17-15-19(26)8-7-18(17)16-27-20-10-13-32(14-11-20)25-22-6-4-3-5-21(22)24(29-30-25)23-9-12-28-31(23)2;1-30-23(10-13-27-30)24-21-8-3-4-9-22(21)25(29-28-24)31-14-11-19(12-15-31)26-17-18-6-5-7-20(16-18)32-2;1-31-22(8-11-28-31)23-19-4-2-3-5-20(19)24(30-29-23)32-12-9-18(10-13-32)27-15-16-6-7-17(25)14-21(16)26;1-30-22(9-12-27-30)23-20-7-2-3-8-21(20)24(29-28-23)31-13-10-19(11-14-31)26-16-17-5-4-6-18(25)15-17;1-31-19(8-11-27-31)21-17-4-2-3-5-18(17)23(30-29-21)32-12-9-16(10-13-32)26-14-15-6-7-20(24)28-22(15)25;/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;3-9,12,15,19H,10-11,13-14,16H2,1-2H3;3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3;3-10,13,16,19,26H,11-12,14-15,17H2,1-2H3;2-8,11,14,18,27H,9-10,12-13,15H2,1H3;2-9,12,15,19,26H,10-11,13-14,16H2,1H3;2-8,11,16,26H,9-10,12-14H2,1H3;1H
InChIKeyACVFDJAIYKBJQG-UHFFFAOYSA-N
MW3601.63 g/mol
LogP30.80
Rot. Bonds41

About N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride

N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride (PubChem CID 158498507) has the molecular formula C199H209ClF13N49O2 and a molecular weight of 3601.63 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride
PubChem CID158498507
Molecular FormulaC199H209ClF13N49O2
Molecular Weight3601.63 g/mol
Exact Mass3598.72
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride
SMILESCC(=O)N(Cc1ccc(F)cc1C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.CN(Cc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1cccc(CNC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)nc3F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(F)c3)CC2)c2ccccc12.[Cl-].[H+]
InChIInChI=1S/C27H29FN6O.C26H26F4N6.C25H26F2N6.C25H27FN6.C25H28N6O.C24H24F2N6.C24H25FN6.C23H23F2N7.ClH/c1-18-16-21(28)9-8-20(18)17-34(19(2)35)22-11-14-33(15-12-22)27-24-7-5-4-6-23(24)26(30-31-27)25-10-13-29-32(25)3;1-34(15-17-9-10-18(27)14-22(17)26(28,29)30)19-6-5-13-36(16-19)25-21-8-4-3-7-20(21)24(32-33-25)23-11-12-31-35(23)2;1-31(16-17-7-8-18(26)15-22(17)27)19-10-13-33(14-11-19)25-21-6-4-3-5-20(21)24(29-30-25)23-9-12-28-32(23)2;1-17-15-19(26)8-7-18(17)16-27-20-10-13-32(14-11-20)25-22-6-4-3-5-21(22)24(29-30-25)23-9-12-28-31(23)2;1-30-23(10-13-27-30)24-21-8-3-4-9-22(21)25(29-28-24)31-14-11-19(12-15-31)26-17-18-6-5-7-20(16-18)32-2;1-31-22(8-11-28-31)23-19-4-2-3-5-20(19)24(30-29-23)32-12-9-18(10-13-32)27-15-16-6-7-17(25)14-21(16)26;1-30-22(9-12-27-30)23-20-7-2-3-8-21(20)24(29-28-23)31-13-10-19(11-14-31)26-16-17-5-4-6-18(25)15-17;1-31-19(8-11-27-31)21-17-4-2-3-5-18(17)23(30-29-21)32-12-9-16(10-13-32)26-14-15-6-7-20(24)28-22(15)25;/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;3-9,12,15,19H,10-11,13-14,16H2,1-2H3;3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3;3-10,13,16,19,26H,11-12,14-15,17H2,1-2H3;2-8,11,14,18,27H,9-10,12-13,15H2,1H3;2-9,12,15,19,26H,10-11,13-14,16H2,1H3;2-8,11,16,26H,9-10,12-14H2,1H3;1H
InChIKeyACVFDJAIYKBJQG-UHFFFAOYSA-N
XLogP30.80
TPSA483.78 Ų
H-Bond Donors5
H-Bond Acceptors50
Rotatable Bonds41
Heavy Atoms264
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003601.63
LogP ≤ 530.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

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

Analyze N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride (CID 158498507) is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride is CC(=O)N(Cc1ccc(F)cc1C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.CN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.CN(Cc1ccc(F)cc1F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.COc1cccc(CNC2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)c1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)cc3F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3ccc(F)nc3F)CC2)c2ccccc12.Cn1nccc1-c1nnc(N2CCC(NCc3cccc(F)c3)CC2)c2ccccc12.[Cl-].[H+].
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride?
The InChIKey is ACVFDJAIYKBJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O.C26H26F4N6.C25H26F2N6.C25H27FN6.C25H28N6O.C24H24F2N6.C24H25FN6.C23H23F2N7.ClH/c1-18-16-21(28)9-8-20(18)17-34(19(2)35)22-11-14-33(15-12-22)27-24-7-5-4-6-23(24)26(30-31-27)25-10-13-29-32(25)3;1-34(15-17-9-10-18(27)14-22(17)26(28,29)30)19-6-5-13-36(16-19)25-21-8-4-3-7-20(21)24(32-33-25)23-11-12-31-35(23)2;1-31(16-17-7-8-18(26)15-22(17)27)19-10-13-33(14-11-19)25-21-6-4-3-5-20(21)24(29-30-25)23-9-12-28-32(23)2;1-17-15-19(26)8-7-18(17)16-27-20-10-13-32(14-11-20)25-22-6-4-3-5-21(22)24(29-30-25)23-9-12-28-31(23)2;1-30-23(10-13-27-30)24-21-8-3-4-9-22(21)25(29-28-24)31-14-11-19(12-15-31)26-17-18-6-5-7-20(16-18)32-2;1-31-22(8-11-28-31)23-19-4-2-3-5-20(19)24(30-29-23)32-12-9-18(10-13-32)27-15-16-6-7-17(25)14-21(16)26;1-30-22(9-12-27-30)23-20-7-2-3-8-21(20)24(29-28-23)31-13-10-19(11-14-31)26-16-17-5-4-6-18(25)15-17;1-31-19(8-11-27-31)21-17-4-2-3-5-18(17)23(30-29-21)32-12-9-16(10-13-32)26-14-15-6-7-20(24)28-22(15)25;/h4-10,13,16,22H,11-12,14-15,17H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;3-9,12,15,19H,10-11,13-14,16H2,1-2H3;3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3;3-10,13,16,19,26H,11-12,14-15,17H2,1-2H3;2-8,11,14,18,27H,9-10,12-13,15H2,1H3;2-9,12,15,19,26H,10-11,13-14,16H2,1H3;2-8,11,16,26H,9-10,12-14H2,1H3;1H.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride?
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride has a molecular weight of 3601.63 g/mol, XLogP of 30.80, 41 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,4-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(2,6-difluoro-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]acetamide;N-[(3-fluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine;hydron;N-[(3-methoxyphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;chloride is sourced from PubChem (CID 158498507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).