1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one

C178H183ClF10N30O12S — CID 157066761

IUPAC1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1cc(Cc2ncnc(N3CC=C(c4ccccc4)CC3)n2)ccc1F.CC(=O)Cc1cccc(Cc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CC=C(c4cccc(OC(F)(F)F)c4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(Cl)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(c4nc(-c5ccccc5)cs4)CC3)n2)c1F.CC(=O)Cc1cccc(Cc2ncnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2)c1F
InChIInChI=1S/C27H29F3N4O3.C27H26FN5OS.C26H29ClN4O2.C26H25F3N4O2.C25H28FN5O.C24H23FN4O.C23H23FN4O2/c1-18(35)14-21-4-3-5-22(19(21)2)15-25-31-17-32-26(33-25)34-12-10-23(11-13-34)36-16-20-6-8-24(9-7-20)37-27(28,29)30;1-18(34)14-21-8-5-9-22(25(21)28)15-24-29-17-30-27(32-24)33-12-10-20(11-13-33)26-31-23(16-35-26)19-6-3-2-4-7-19;1-18(32)14-21-4-3-5-22(19(21)2)15-25-28-17-29-26(30-25)31-12-10-24(11-13-31)33-16-20-6-8-23(27)9-7-20;1-17(34)13-20-5-3-6-21(18(20)2)15-24-30-16-31-25(32-24)33-11-9-19(10-12-33)22-7-4-8-23(14-22)35-26(27,28)29;1-17-7-8-22(13-18(17)2)30-9-11-31(12-10-30)25-28-16-27-23(29-25)15-21-6-4-5-20(24(21)26)14-19(3)32;1-17(30)13-21-14-18(7-8-22(21)25)15-23-26-16-27-24(28-23)29-11-9-20(10-12-29)19-5-3-2-4-6-19;1-15(29)10-17-4-3-5-18(16(17)2)11-22-25-14-26-23(27-22)28-12-21(13-28)30-20-8-6-19(24)7-9-20/h3-9,17,23H,10-16H2,1-2H3;2-9,16-17,20H,10-15H2,1H3;3-9,17,24H,10-16H2,1-2H3;3-9,14,16H,10-13,15H2,1-2H3;4-8,13,16H,9-12,14-15H2,1-3H3;2-9,14,16H,10-13,15H2,1H3;3-9,14,21H,10-13H2,1-2H3
InChIKeyABYSDOJXPKXNMB-UHFFFAOYSA-N
MW3192.12 g/mol
LogP31.08
Rot. Bonds50

About 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one

1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one (PubChem CID 157066761) has the molecular formula C178H183ClF10N30O12S and a molecular weight of 3192.12 g/mol. Its IUPAC name is 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one
PubChem CID157066761
Molecular FormulaC178H183ClF10N30O12S
Molecular Weight3192.12 g/mol
Exact Mass3189.39
IUPAC Name1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1cc(Cc2ncnc(N3CC=C(c4ccccc4)CC3)n2)ccc1F.CC(=O)Cc1cccc(Cc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CC=C(c4cccc(OC(F)(F)F)c4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(Cl)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(c4nc(-c5ccccc5)cs4)CC3)n2)c1F.CC(=O)Cc1cccc(Cc2ncnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2)c1F
InChIInChI=1S/C27H29F3N4O3.C27H26FN5OS.C26H29ClN4O2.C26H25F3N4O2.C25H28FN5O.C24H23FN4O.C23H23FN4O2/c1-18(35)14-21-4-3-5-22(19(21)2)15-25-31-17-32-26(33-25)34-12-10-23(11-13-34)36-16-20-6-8-24(9-7-20)37-27(28,29)30;1-18(34)14-21-8-5-9-22(25(21)28)15-24-29-17-30-27(32-24)33-12-10-20(11-13-33)26-31-23(16-35-26)19-6-3-2-4-7-19;1-18(32)14-21-4-3-5-22(19(21)2)15-25-28-17-29-26(30-25)31-12-10-24(11-13-31)33-16-20-6-8-23(27)9-7-20;1-17(34)13-20-5-3-6-21(18(20)2)15-24-30-16-31-25(32-24)33-11-9-19(10-12-33)22-7-4-8-23(14-22)35-26(27,28)29;1-17-7-8-22(13-18(17)2)30-9-11-31(12-10-30)25-28-16-27-23(29-25)15-21-6-4-5-20(24(21)26)14-19(3)32;1-17(30)13-21-14-18(7-8-22(21)25)15-23-26-16-27-24(28-23)29-11-9-20(10-12-29)19-5-3-2-4-6-19;1-15(29)10-17-4-3-5-18(16(17)2)11-22-25-14-26-23(27-22)28-12-21(13-28)30-20-8-6-19(24)7-9-20/h3-9,17,23H,10-16H2,1-2H3;2-9,16-17,20H,10-15H2,1H3;3-9,17,24H,10-16H2,1-2H3;3-9,14,16H,10-13,15H2,1-2H3;4-8,13,16H,9-12,14-15H2,1-3H3;2-9,14,16H,10-13,15H2,1H3;3-9,14,21H,10-13H2,1-2H3
InChIKeyABYSDOJXPKXNMB-UHFFFAOYSA-N
XLogP31.08
TPSA475.14 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds50
Heavy Atoms232
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003192.12
LogP ≤ 531.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one?
The IUPAC name of 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one (CID 157066761) is 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one is CC(=O)Cc1cc(Cc2ncnc(N3CC=C(c4ccccc4)CC3)n2)ccc1F.CC(=O)Cc1cccc(Cc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CC=C(c4cccc(OC(F)(F)F)c4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(Cl)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C.CC(=O)Cc1cccc(Cc2ncnc(N3CCC(c4nc(-c5ccccc5)cs4)CC3)n2)c1F.CC(=O)Cc1cccc(Cc2ncnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2)c1F.
What is the InChIKey of 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one?
The InChIKey is ABYSDOJXPKXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N4O3.C27H26FN5OS.C26H29ClN4O2.C26H25F3N4O2.C25H28FN5O.C24H23FN4O.C23H23FN4O2/c1-18(35)14-21-4-3-5-22(19(21)2)15-25-31-17-32-26(33-25)34-12-10-23(11-13-34)36-16-20-6-8-24(9-7-20)37-27(28,29)30;1-18(34)14-21-8-5-9-22(25(21)28)15-24-29-17-30-27(32-24)33-12-10-20(11-13-33)26-31-23(16-35-26)19-6-3-2-4-7-19;1-18(32)14-21-4-3-5-22(19(21)2)15-25-28-17-29-26(30-25)31-12-10-24(11-13-31)33-16-20-6-8-23(27)9-7-20;1-17(34)13-20-5-3-6-21(18(20)2)15-24-30-16-31-25(32-24)33-11-9-19(10-12-33)22-7-4-8-23(14-22)35-26(27,28)29;1-17-7-8-22(13-18(17)2)30-9-11-31(12-10-30)25-28-16-27-23(29-25)15-21-6-4-5-20(24(21)26)14-19(3)32;1-17(30)13-21-14-18(7-8-22(21)25)15-23-26-16-27-24(28-23)29-11-9-20(10-12-29)19-5-3-2-4-6-19;1-15(29)10-17-4-3-5-18(16(17)2)11-22-25-14-26-23(27-22)28-12-21(13-28)30-20-8-6-19(24)7-9-20/h3-9,17,23H,10-16H2,1-2H3;2-9,16-17,20H,10-15H2,1H3;3-9,17,24H,10-16H2,1-2H3;3-9,14,16H,10-13,15H2,1-2H3;4-8,13,16H,9-12,14-15H2,1-3H3;2-9,14,16H,10-13,15H2,1H3;3-9,14,21H,10-13H2,1-2H3.
What are the key properties of 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one?
1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one has a molecular weight of 3192.12 g/mol, XLogP of 31.08, 50 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-[4-[(4-chlorophenyl)methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[3-[[4-[4-(3,4-dimethylphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-fluorophenyl]propan-2-one;1-[3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]methyl]-2-methylphenyl]propan-2-one;1-[2-fluoro-5-[[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-fluoro-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one;1-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]methyl]phenyl]propan-2-one is sourced from PubChem (CID 157066761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).