5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione

C224H235ClF18N38O23 — CID 159032552

IUPAC5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(=O)N1CN(C(=O)c2c(F)cccc2F)C(=O)N(c2ccc(OC(F)(F)F)cc2F)C1.CN1CCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCN(C)CC4)cc3)cc2)CC1.CN1CN(CN2CN(C)CN(c3ccccc3)C2=O)C(=O)N(c2ccccc2)C1.COC(=O)c1cc2cc(C)ccc2n1C1CCN(Cc2ccccc2)CC1.FC(F)(F)c1ccc(N2CCC(COc3cc(C(F)(F)F)cnn3)CC2)nc1.O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCC3)cc2)cc1)N1CCCCC1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.O=C(Nc1ccc(Oc2ccc(NC(=O)N3CCCCC3)cc2)cc1)N1CCCCC1.O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1.O=c1n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c(=O)n1C/C=C/c1ccccc1
InChIInChI=1S/C30H27N3O3.C25H34N6O2.C25H32N4O2.C24H30N4O3.C23H26N2O2.C21H26N6O2.C21H15N3O3.C19H16ClF6N3O.C19H13F6N3O4.C17H16F6N4O/c34-28-31(22-10-19-25-13-4-1-5-14-25)29(35)33(24-12-21-27-17-8-3-9-18-27)30(36)32(28)23-11-20-26-15-6-2-7-16-26;1-28-11-15-30(16-12-28)24(32)26-22-7-3-20(4-8-22)19-21-5-9-23(10-6-21)27-25(33)31-17-13-29(2)14-18-31;30-24(28-15-3-1-4-16-28)26-22-11-7-20(8-12-22)19-21-9-13-23(14-10-21)27-25(31)29-17-5-2-6-18-29;29-23(27-15-3-1-4-16-27)25-19-7-11-21(12-8-19)31-22-13-9-20(10-14-22)26-24(30)28-17-5-2-6-18-28;1-17-8-9-21-19(14-17)15-22(23(26)27-2)25(21)20-10-12-24(13-11-20)16-18-6-4-3-5-7-18;1-22-13-24(20(28)26(15-22)18-9-5-3-6-10-18)17-25-14-23(2)16-27(21(25)29)19-11-7-4-8-12-19;25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17;20-15-3-2-13(9-14(15)19(24,25)26)28-17(30)11-5-7-29(8-6-11)16-4-1-12(10-27-16)18(21,22)23;1-10(29)26-8-27(15-6-5-11(7-14(15)22)32-19(23,24)25)18(31)28(9-26)17(30)16-12(20)3-2-4-13(16)21;18-16(19,20)12-1-2-14(24-8-12)27-5-3-11(4-6-27)10-28-15-7-13(9-25-26-15)17(21,22)23/h1-21H,22-24H2;3-10H,11-19H2,1-2H3,(H,26,32)(H,27,33);7-14H,1-6,15-19H2,(H,26,30)(H,27,31);7-14H,1-6,15-18H2,(H,25,29)(H,26,30);3-9,14-15,20H,10-13,16H2,1-2H3;3-12H,13-17H2,1-2H3;1-15H;1-4,9-11H,5-8H2,(H,28,30);2-7H,8-9H2,1H3;1-2,7-9,11H,3-6,10H2/b19-10+,20-11+,21-12+;;;;;;;;;
InChIKeyJVBDMMUXVSFWQV-BNMUHBTJSA-N
MW4205.00 g/mol
LogP40.89
Rot. Bonds42

About 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione

5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 159032552) has the molecular formula C224H235ClF18N38O23 and a molecular weight of 4205.00 g/mol. Its IUPAC name is 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID159032552
Molecular FormulaC224H235ClF18N38O23
Molecular Weight4205.00 g/mol
Exact Mass4201.78
IUPAC Name5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESCC(=O)N1CN(C(=O)c2c(F)cccc2F)C(=O)N(c2ccc(OC(F)(F)F)cc2F)C1.CN1CCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCN(C)CC4)cc3)cc2)CC1.CN1CN(CN2CN(C)CN(c3ccccc3)C2=O)C(=O)N(c2ccccc2)C1.COC(=O)c1cc2cc(C)ccc2n1C1CCN(Cc2ccccc2)CC1.FC(F)(F)c1ccc(N2CCC(COc3cc(C(F)(F)F)cnn3)CC2)nc1.O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCC3)cc2)cc1)N1CCCCC1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.O=C(Nc1ccc(Oc2ccc(NC(=O)N3CCCCC3)cc2)cc1)N1CCCCC1.O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1.O=c1n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c(=O)n1C/C=C/c1ccccc1
InChIInChI=1S/C30H27N3O3.C25H34N6O2.C25H32N4O2.C24H30N4O3.C23H26N2O2.C21H26N6O2.C21H15N3O3.C19H16ClF6N3O.C19H13F6N3O4.C17H16F6N4O/c34-28-31(22-10-19-25-13-4-1-5-14-25)29(35)33(24-12-21-27-17-8-3-9-18-27)30(36)32(28)23-11-20-26-15-6-2-7-16-26;1-28-11-15-30(16-12-28)24(32)26-22-7-3-20(4-8-22)19-21-5-9-23(10-6-21)27-25(33)31-17-13-29(2)14-18-31;30-24(28-15-3-1-4-16-28)26-22-11-7-20(8-12-22)19-21-9-13-23(14-10-21)27-25(31)29-17-5-2-6-18-29;29-23(27-15-3-1-4-16-27)25-19-7-11-21(12-8-19)31-22-13-9-20(10-14-22)26-24(30)28-17-5-2-6-18-28;1-17-8-9-21-19(14-17)15-22(23(26)27-2)25(21)20-10-12-24(13-11-20)16-18-6-4-3-5-7-18;1-22-13-24(20(28)26(15-22)18-9-5-3-6-10-18)17-25-14-23(2)16-27(21(25)29)19-11-7-4-8-12-19;25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17;20-15-3-2-13(9-14(15)19(24,25)26)28-17(30)11-5-7-29(8-6-11)16-4-1-12(10-27-16)18(21,22)23;1-10(29)26-8-27(15-6-5-11(7-14(15)22)32-19(23,24)25)18(31)28(9-26)17(30)16-12(20)3-2-4-13(16)21;18-16(19,20)12-1-2-14(24-8-12)27-5-3-11(4-6-27)10-28-15-7-13(9-25-26-15)17(21,22)23/h1-21H,22-24H2;3-10H,11-19H2,1-2H3,(H,26,32)(H,27,33);7-14H,1-6,15-19H2,(H,26,30)(H,27,31);7-14H,1-6,15-18H2,(H,25,29)(H,26,30);3-9,14-15,20H,10-13,16H2,1-2H3;3-12H,13-17H2,1-2H3;1-15H;1-4,9-11H,5-8H2,(H,28,30);2-7H,8-9H2,1H3;1-2,7-9,11H,3-6,10H2/b19-10+,20-11+,21-12+;;;;;;;;;
InChIKeyJVBDMMUXVSFWQV-BNMUHBTJSA-N
XLogP40.89
TPSA596.33 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms304
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004205.00
LogP ≤ 540.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Analyze 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione with MolForge

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Related Compounds

CID 157958218
CID 157958218
5-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-(2-methoxyethylamino)-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158204958

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione (CID 159032552) is 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione is CC(=O)N1CN(C(=O)c2c(F)cccc2F)C(=O)N(c2ccc(OC(F)(F)F)cc2F)C1.CN1CCN(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4CCN(C)CC4)cc3)cc2)CC1.CN1CN(CN2CN(C)CN(c3ccccc3)C2=O)C(=O)N(c2ccccc2)C1.COC(=O)c1cc2cc(C)ccc2n1C1CCN(Cc2ccccc2)CC1.FC(F)(F)c1ccc(N2CCC(COc3cc(C(F)(F)F)cnn3)CC2)nc1.O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCC3)cc2)cc1)N1CCCCC1.O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.O=C(Nc1ccc(Oc2ccc(NC(=O)N3CCCCC3)cc2)cc1)N1CCCCC1.O=c1n(-c2ccccc2)c(=O)n(-c2ccccc2)c(=O)n1-c1ccccc1.O=c1n(C/C=C/c2ccccc2)c(=O)n(C/C=C/c2ccccc2)c(=O)n1C/C=C/c1ccccc1.
What is the InChIKey of 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is JVBDMMUXVSFWQV-BNMUHBTJSA-N. The full InChI is InChI=1S/C30H27N3O3.C25H34N6O2.C25H32N4O2.C24H30N4O3.C23H26N2O2.C21H26N6O2.C21H15N3O3.C19H16ClF6N3O.C19H13F6N3O4.C17H16F6N4O/c34-28-31(22-10-19-25-13-4-1-5-14-25)29(35)33(24-12-21-27-17-8-3-9-18-27)30(36)32(28)23-11-20-26-15-6-2-7-16-26;1-28-11-15-30(16-12-28)24(32)26-22-7-3-20(4-8-22)19-21-5-9-23(10-6-21)27-25(33)31-17-13-29(2)14-18-31;30-24(28-15-3-1-4-16-28)26-22-11-7-20(8-12-22)19-21-9-13-23(14-10-21)27-25(31)29-17-5-2-6-18-29;29-23(27-15-3-1-4-16-27)25-19-7-11-21(12-8-19)31-22-13-9-20(10-14-22)26-24(30)28-17-5-2-6-18-28;1-17-8-9-21-19(14-17)15-22(23(26)27-2)25(21)20-10-12-24(13-11-20)16-18-6-4-3-5-7-18;1-22-13-24(20(28)26(15-22)18-9-5-3-6-10-18)17-25-14-23(2)16-27(21(25)29)19-11-7-4-8-12-19;25-19-22(16-10-4-1-5-11-16)20(26)24(18-14-8-3-9-15-18)21(27)23(19)17-12-6-2-7-13-17;20-15-3-2-13(9-14(15)19(24,25)26)28-17(30)11-5-7-29(8-6-11)16-4-1-12(10-27-16)18(21,22)23;1-10(29)26-8-27(15-6-5-11(7-14(15)22)32-19(23,24)25)18(31)28(9-26)17(30)16-12(20)3-2-4-13(16)21;18-16(19,20)12-1-2-14(24-8-12)27-5-3-11(4-6-27)10-28-15-7-13(9-25-26-15)17(21,22)23/h1-21H,22-24H2;3-10H,11-19H2,1-2H3,(H,26,32)(H,27,33);7-14H,1-6,15-19H2,(H,26,30)(H,27,31);7-14H,1-6,15-18H2,(H,25,29)(H,26,30);3-9,14-15,20H,10-13,16H2,1-2H3;3-12H,13-17H2,1-2H3;1-15H;1-4,9-11H,5-8H2,(H,28,30);2-7H,8-9H2,1H3;1-2,7-9,11H,3-6,10H2/b19-10+,20-11+,21-12+;;;;;;;;;.
What are the key properties of 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione?
5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 4205.00 g/mol, XLogP of 40.89, 42 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(2,6-difluorobenzoyl)-3-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,3,5-triazinan-2-one;N-[4-chloro-3-(trifluoromethyl)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide;methyl 1-(1-benzylpiperidin-4-yl)-5-methylindole-2-carboxylate;5-methyl-1-[(5-methyl-2-oxo-3-phenyl-1,3,5-triazinan-1-yl)methyl]-3-phenyl-1,3,5-triazinan-2-one;4-methyl-N-[4-[[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide;N-[4-[4-(piperidine-1-carbonylamino)phenoxy]phenyl]piperidine-1-carboxamide;N-[4-[[4-(piperidine-1-carbonylamino)phenyl]methyl]phenyl]piperidine-1-carboxamide;5-(trifluoromethyl)-3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methoxy]pyridazine;1,3,5-triphenyl-1,3,5-triazinane-2,4,6-trione;1,3,5-tris[(E)-3-phenylprop-2-enyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 159032552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).