N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine

C158H181F9N34O — CID 160970809

IUPACN-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine
SMILESCN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(N3CCN(C)CC3)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(NCCN(C)C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(Oc3ccccc3)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
InChIInChI=1S/C28H29FN4O.C27H35FN6.C26H26F4N6.C26H29FN6.C26H35FN6.C25H27FN6/c1-20-18-22(29)13-12-21(20)19-32(2)23-14-16-33(17-15-23)27-25-10-6-7-11-26(25)28(31-30-27)34-24-8-4-3-5-9-24;1-20-18-22(28)9-8-21(20)19-32(3)23-10-12-33(13-11-23)26-24-6-4-5-7-25(24)27(30-29-26)34-16-14-31(2)15-17-34;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;1-18-16-20(27)9-8-19(18)17-31(2)21-11-14-33(15-12-21)26-23-7-5-4-6-22(23)25(29-30-26)24-10-13-28-32(24)3;1-19-17-21(27)10-9-20(19)18-32(4)22-11-14-33(15-12-22)26-24-8-6-5-7-23(24)25(29-30-26)28-13-16-31(2)3;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/h3-13,18,23H,14-17,19H2,1-2H3;4-9,18,23H,10-17,19H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;4-10,13,16,21H,11-12,14-15,17H2,1-3H3;5-10,17,22H,11-16,18H2,1-4H3,(H,28,29);3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3
InChIKeySYFNSRZWANVPQH-UHFFFAOYSA-N
MW2743.40 g/mol
LogP28.16
Rot. Bonds34

About N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine

N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine (PubChem CID 160970809) has the molecular formula C158H181F9N34O and a molecular weight of 2743.40 g/mol. Its IUPAC name is N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine.

Molecular Properties

Compound NameN-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine
PubChem CID160970809
Molecular FormulaC158H181F9N34O
Molecular Weight2743.40 g/mol
Exact Mass2741.50
IUPAC NameN-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine
SMILESCN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(N3CCN(C)CC3)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(NCCN(C)C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(Oc3ccccc3)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
InChIInChI=1S/C28H29FN4O.C27H35FN6.C26H26F4N6.C26H29FN6.C26H35FN6.C25H27FN6/c1-20-18-22(29)13-12-21(20)19-32(2)23-14-16-33(17-15-23)27-25-10-6-7-11-26(25)28(31-30-27)34-24-8-4-3-5-9-24;1-20-18-22(28)9-8-21(20)19-32(3)23-10-12-33(13-11-23)26-24-6-4-5-7-25(24)27(30-29-26)34-16-14-31(2)15-17-34;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;1-18-16-20(27)9-8-19(18)17-31(2)21-11-14-33(15-12-21)26-23-7-5-4-6-22(23)25(29-30-26)24-10-13-28-32(24)3;1-19-17-21(27)10-9-20(19)18-32(4)22-11-14-33(15-12-22)26-24-8-6-5-7-23(24)25(29-30-26)28-13-16-31(2)3;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/h3-13,18,23H,14-17,19H2,1-2H3;4-9,18,23H,10-17,19H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;4-10,13,16,21H,11-12,14-15,17H2,1-3H3;5-10,17,22H,11-16,18H2,1-4H3,(H,28,29);3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3
InChIKeySYFNSRZWANVPQH-UHFFFAOYSA-N
XLogP28.16
TPSA286.79 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.40
LogP ≤ 528.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 86342589
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 86342590
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 86345187
1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 117727269
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-N-methyl-1-(4-phenoxyphthalazin-1-yl)piperidin-4-amine
CID 144749720
N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[[4-fluoro-2-(trifluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine
CID 144749832
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
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
3-tert-butyl-1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-1-methylurea;1-(2,4-difluorophenyl)-3-[1-[1-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]piperidin-4-yl]urea;1-[1-[4,5-dimethyl-6-(2-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-1-methylurea;3-(4-fluoro-2-methylphenyl)-1-methyl-1-[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-[4-(trifluoromethoxy)phenyl]urea
CID 158564634
1-tert-butyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-cyclohexyl-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[[2-(difluoromethoxy)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;1-(3-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;1-(2-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-[3-(trifluoromethyl)phenyl]urea;1-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 159707001
1-(2,4-difluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-[(2-ethoxyphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;2-fluoro-5-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;1-(4-fluorophenyl)-3-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]urea;N-methyl-N-[(2-methylphenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 159861894
N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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]-1-[5-(2-methylpyrazol-3-yl)pyrido[2,3-d]pyridazin-8-yl]piperidin-4-amine;N-[(2-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
CID 160127221

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine?
The IUPAC name of N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine (CID 160970809) is N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine.
What is the SMILES notation for N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine?
The canonical SMILES for N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine is CN(Cc1ccc(F)cc1C(F)(F)F)C1CCCN(c2nnc(-c3ccnn3C)c3ccccc23)C1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(N3CCN(C)CC3)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(NCCN(C)C)c3ccccc23)CC1.Cc1cc(F)ccc1CN(C)C1CCN(c2nnc(Oc3ccccc3)c3ccccc23)CC1.Cc1cc(F)ccc1CNC1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1.
What is the InChIKey of N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine?
The InChIKey is SYFNSRZWANVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O.C27H35FN6.C26H26F4N6.C26H29FN6.C26H35FN6.C25H27FN6/c1-20-18-22(29)13-12-21(20)19-32(2)23-14-16-33(17-15-23)27-25-10-6-7-11-26(25)28(31-30-27)34-24-8-4-3-5-9-24;1-20-18-22(28)9-8-21(20)19-32(3)23-10-12-33(13-11-23)26-24-6-4-5-7-25(24)27(30-29-26)34-16-14-31(2)15-17-34;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;1-18-16-20(27)9-8-19(18)17-31(2)21-11-14-33(15-12-21)26-23-7-5-4-6-22(23)25(29-30-26)24-10-13-28-32(24)3;1-19-17-21(27)10-9-20(19)18-32(4)22-11-14-33(15-12-22)26-24-8-6-5-7-23(24)25(29-30-26)28-13-16-31(2)3;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/h3-13,18,23H,14-17,19H2,1-2H3;4-9,18,23H,10-17,19H2,1-3H3;3-4,7-12,14,19H,5-6,13,15-16H2,1-2H3;4-10,13,16,21H,11-12,14-15,17H2,1-3H3;5-10,17,22H,11-16,18H2,1-4H3,(H,28,29);3-9,12,15,20,27H,10-11,13-14,16H2,1-2H3.
What are the key properties of N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine?
N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine has a molecular weight of 2743.40 g/mol, XLogP of 28.16, 34 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-N',N'-dimethylethane-1,2-diamine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-(4-phenoxyphthalazin-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-(trifluoromethyl)phenyl]methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-3-amine is sourced from PubChem (CID 160970809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).