5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline

C179H135F24N55O25 — CID 159157457

IUPAC5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline
SMILESCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnn3)cc2)c1.COC(=O)Nc1nc2cc(Oc3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4-n4ccnn4)cc3)ccc2n1O.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4ccnn4)cc3)cc2n1O.NC(=O)c1c(N)n(-c2ccc(CC(=O)Cc3cc(C(F)(F)F)ccc3-n3ccnn3)cc2)c[n+]1[O-].Nc1cc(C(F)(F)F)ccc1-n1ccnn1.O=C(Nc1ccc(/N=c2/c3c(ncn2O)CC=CC3=O)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1.O=C(Nc1ccc(/N=c2\ccn(O)c3c2C(=O)C=CC3)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1.[H]/N=c1\ncn(O)c2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnn2)cc1
InChIInChI=1S/C27H21F3N6O5.C25H19F3N8O5.C25H18F3N7O3.C24H17F3N8O3.C24H19F3N6O3.C23H16F3N9O3.C22H18F3N7O3.C9H7F3N4/c1-40-26(38)33-25-32-22-15-21(7-9-24(22)36(25)39)41-20-5-2-16(3-6-20)12-19(37)14-17-13-18(27(28,29)30)4-8-23(17)35-11-10-31-34-35;1-40-24(38)33-22-31-18-8-7-17(13-21(18)36(22)39)41-16-5-3-15(4-6-16)30-23(37)32-19-12-14(25(26,27)28)2-9-20(19)35-11-10-29-34-35;26-25(27,28)15-4-9-20(34-13-11-29-33-34)19(14-15)32-24(37)31-17-7-5-16(6-8-17)30-18-10-12-35(38)21-2-1-3-22(36)23(18)21;25-24(26,27)14-4-9-19(34-11-10-29-33-34)18(12-14)32-23(37)31-16-7-5-15(6-8-16)30-22-21-17(28-13-35(22)38)2-1-3-20(21)36;1-28-22(34)15-3-2-4-19(13-15)36-18-8-6-17(7-9-18)30-23(35)31-20-14-16(24(25,26)27)5-10-21(20)33-12-11-29-32-33;24-23(25,26)13-1-6-17(34-10-8-29-32-34)16(11-13)31-22(37)30-14-2-4-15(5-3-14)33-9-7-18(36)19-20(27)28-12-35(38)21(19)33;23-22(24,25)15-3-6-18(31-8-7-28-29-31)14(10-15)11-17(33)9-13-1-4-16(5-2-13)30-12-32(35)19(20(30)26)21(27)34;10-9(11,12)6-1-2-8(7(13)5-6)16-4-3-14-15-16/h2-11,13,15,39H,12,14H2,1H3,(H,32,33,38);2-13,39H,1H3,(H2,30,32,37)(H,31,33,38);1,3-14,38H,2H2,(H2,31,32,37);1,3-13,38H,2H2,(H2,31,32,37);2-14H,1H3,(H,28,34)(H2,30,31,35);1-12,27,38H,(H2,30,31,37);1-8,10,12H,9,11,26H2,(H2,27,34);1-5H,13H2/b;;30-18+;30-22-;;27-20-;;
InChIKeyYNEWWEVMTUMLNZ-MPXWYZGYSA-N
MW3912.36 g/mol
LogP30.92
Rot. Bonds40

About 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline

5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline (PubChem CID 159157457) has the molecular formula C179H135F24N55O25 and a molecular weight of 3912.36 g/mol. Its IUPAC name is 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline
PubChem CID159157457
Molecular FormulaC179H135F24N55O25
Molecular Weight3912.36 g/mol
Exact Mass3910.06
IUPAC Name5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline
SMILESCNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnn3)cc2)c1.COC(=O)Nc1nc2cc(Oc3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4-n4ccnn4)cc3)ccc2n1O.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4ccnn4)cc3)cc2n1O.NC(=O)c1c(N)n(-c2ccc(CC(=O)Cc3cc(C(F)(F)F)ccc3-n3ccnn3)cc2)c[n+]1[O-].Nc1cc(C(F)(F)F)ccc1-n1ccnn1.O=C(Nc1ccc(/N=c2/c3c(ncn2O)CC=CC3=O)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1.O=C(Nc1ccc(/N=c2\ccn(O)c3c2C(=O)C=CC3)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1.[H]/N=c1\ncn(O)c2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnn2)cc1
InChIInChI=1S/C27H21F3N6O5.C25H19F3N8O5.C25H18F3N7O3.C24H17F3N8O3.C24H19F3N6O3.C23H16F3N9O3.C22H18F3N7O3.C9H7F3N4/c1-40-26(38)33-25-32-22-15-21(7-9-24(22)36(25)39)41-20-5-2-16(3-6-20)12-19(37)14-17-13-18(27(28,29)30)4-8-23(17)35-11-10-31-34-35;1-40-24(38)33-22-31-18-8-7-17(13-21(18)36(22)39)41-16-5-3-15(4-6-16)30-23(37)32-19-12-14(25(26,27)28)2-9-20(19)35-11-10-29-34-35;26-25(27,28)15-4-9-20(34-13-11-29-33-34)19(14-15)32-24(37)31-17-7-5-16(6-8-17)30-18-10-12-35(38)21-2-1-3-22(36)23(18)21;25-24(26,27)14-4-9-19(34-11-10-29-33-34)18(12-14)32-23(37)31-16-7-5-15(6-8-16)30-22-21-17(28-13-35(22)38)2-1-3-20(21)36;1-28-22(34)15-3-2-4-19(13-15)36-18-8-6-17(7-9-18)30-23(35)31-20-14-16(24(25,26)27)5-10-21(20)33-12-11-29-32-33;24-23(25,26)13-1-6-17(34-10-8-29-32-34)16(11-13)31-22(37)30-14-2-4-15(5-3-14)33-9-7-18(36)19-20(27)28-12-35(38)21(19)33;23-22(24,25)15-3-6-18(31-8-7-28-29-31)14(10-15)11-17(33)9-13-1-4-16(5-2-13)30-12-32(35)19(20(30)26)21(27)34;10-9(11,12)6-1-2-8(7(13)5-6)16-4-3-14-15-16/h2-11,13,15,39H,12,14H2,1H3,(H,32,33,38);2-13,39H,1H3,(H2,30,32,37)(H,31,33,38);1,3-14,38H,2H2,(H2,31,32,37);1,3-13,38H,2H2,(H2,31,32,37);2-14H,1H3,(H,28,34)(H2,30,31,35);1-12,27,38H,(H2,30,31,37);1-8,10,12H,9,11,26H2,(H2,27,34);1-5H,13H2/b;;30-18+;30-22-;;27-20-;;
InChIKeyYNEWWEVMTUMLNZ-MPXWYZGYSA-N
XLogP30.92
TPSA1027.99 Ų
H-Bond Donors22
H-Bond Acceptors65
Rotatable Bonds40
Heavy Atoms283
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003912.36
LogP ≤ 530.92
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1065

Analyze 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,5-dimethylpyrazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-5-methyl-1,2-oxazole-3-carboxamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(5-methyltetrazol-1-yl)benzamide;N-(2,2-difluoro-7H-[1,3]dioxolo[4,5-f]indol-6-yl)-3-(tetrazol-1-yl)benzamide
CID 157126126
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 160249998
1-[4-(4-amino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;5-amino-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazole-4-carboxamide;N-[4-(6-aminopurin-9-yl)phenyl]-2-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide;methyl N-[6-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]-3H-indol-2-yl]carbamate;N-methyl-4-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;1-[4-[(5-oxo-8H-quinazolin-4-yl)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-(4-pyridin-4-yloxyphenyl)-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea
CID 160464199
(5R)-5-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methyl-1-phenylpyrazol-4-yl)phenyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]phenyl]imidazolidine-2,4-dione
CID 160868295
CID 159201518
CID 159201518
CID 160274825
CID 160274825
N-[2-[2-[4-[5-(5-acetylindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;N-[2-[2-[4-[5-(5-aminoindole-1-carbonyl)-1-methylpyrrol-3-yl]phenyl]acetyl]-1-methylimidazol-4-yl]-4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanamide;4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]-N-[1-methyl-2-[2-[4-[1-methyl-5-(5-methylindole-1-carbonyl)pyrrol-3-yl]phenyl]acetyl]imidazol-4-yl]butanamide;1-[1-methyl-4-[4-[2-[1-methyl-4-[4-[(2-methyl-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]imidazol-2-yl]-2-oxoethyl]phenyl]pyrrole-2-carbonyl]indole-5-carboxylic acid
CID 160727956
(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(1-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylindazol-5-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[4-(3,7-dimethylbenzimidazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[4-(1,7-dimethylindazol-5-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 161049496
CID 161758431
CID 161758431
CID 162119981
CID 162119981
CID 162132224
CID 162132224
CID 167607662
CID 167607662

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline (CID 159157457) is 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline is CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3-n3ccnn3)cc2)c1.COC(=O)Nc1nc2cc(Oc3ccc(CC(=O)Cc4cc(C(F)(F)F)ccc4-n4ccnn4)cc3)ccc2n1O.COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4-n4ccnn4)cc3)cc2n1O.NC(=O)c1c(N)n(-c2ccc(CC(=O)Cc3cc(C(F)(F)F)ccc3-n3ccnn3)cc2)c[n+]1[O-].Nc1cc(C(F)(F)F)ccc1-n1ccnn1.O=C(Nc1ccc(/N=c2/c3c(ncn2O)CC=CC3=O)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1.O=C(Nc1ccc(/N=c2\ccn(O)c3c2C(=O)C=CC3)cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnn1.[H]/N=c1\ncn(O)c2c1c(=O)ccn2-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2ccnn2)cc1.
What is the InChIKey of 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline?
The InChIKey is YNEWWEVMTUMLNZ-MPXWYZGYSA-N. The full InChI is InChI=1S/C27H21F3N6O5.C25H19F3N8O5.C25H18F3N7O3.C24H17F3N8O3.C24H19F3N6O3.C23H16F3N9O3.C22H18F3N7O3.C9H7F3N4/c1-40-26(38)33-25-32-22-15-21(7-9-24(22)36(25)39)41-20-5-2-16(3-6-20)12-19(37)14-17-13-18(27(28,29)30)4-8-23(17)35-11-10-31-34-35;1-40-24(38)33-22-31-18-8-7-17(13-21(18)36(22)39)41-16-5-3-15(4-6-16)30-23(37)32-19-12-14(25(26,27)28)2-9-20(19)35-11-10-29-34-35;26-25(27,28)15-4-9-20(34-13-11-29-33-34)19(14-15)32-24(37)31-17-7-5-16(6-8-17)30-18-10-12-35(38)21-2-1-3-22(36)23(18)21;25-24(26,27)14-4-9-19(34-11-10-29-33-34)18(12-14)32-23(37)31-16-7-5-15(6-8-16)30-22-21-17(28-13-35(22)38)2-1-3-20(21)36;1-28-22(34)15-3-2-4-19(13-15)36-18-8-6-17(7-9-18)30-23(35)31-20-14-16(24(25,26)27)5-10-21(20)33-12-11-29-32-33;24-23(25,26)13-1-6-17(34-10-8-29-32-34)16(11-13)31-22(37)30-14-2-4-15(5-3-14)33-9-7-18(36)19-20(27)28-12-35(38)21(19)33;23-22(24,25)15-3-6-18(31-8-7-28-29-31)14(10-15)11-17(33)9-13-1-4-16(5-2-13)30-12-32(35)19(20(30)26)21(27)34;10-9(11,12)6-1-2-8(7(13)5-6)16-4-3-14-15-16/h2-11,13,15,39H,12,14H2,1H3,(H,32,33,38);2-13,39H,1H3,(H2,30,32,37)(H,31,33,38);1,3-14,38H,2H2,(H2,31,32,37);1,3-13,38H,2H2,(H2,31,32,37);2-14H,1H3,(H,28,34)(H2,30,31,35);1-12,27,38H,(H2,30,31,37);1-8,10,12H,9,11,26H2,(H2,27,34);1-5H,13H2/b;;30-18+;30-22-;;27-20-;;.
What are the key properties of 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline?
5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline has a molecular weight of 3912.36 g/mol, XLogP of 30.92, 40 rotatable bonds, 22 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-oxido-1-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenyl]imidazol-3-ium-4-carboxamide;1-[4-(1-hydroxy-4-imino-5-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(3-hydroxy-5-oxo-8H-quinazolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;1-[4-[(1-hydroxy-5-oxo-8H-quinolin-4-ylidene)amino]phenyl]-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]urea;methyl N-[1-hydroxy-5-[4-[2-oxo-3-[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]propyl]phenoxy]benzimidazol-2-yl]carbamate;methyl N-[1-hydroxy-6-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzimidazol-2-yl]carbamate;N-methyl-3-[4-[[2-(triazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzamide;2-(triazol-1-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 159157457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).