3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C123H119F12N21O8S — CID 158691695

IUPAC3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(=O)NCc5ccco5)c4)c3)N=C2N)CC1.CN1C(=O)C(CCCc2cccc(C#N)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cccc(C(F)(F)F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cccc(C(F)(F)F)c2)N=C1N.NC1=NC(c2ccccc2)(c2cccc(-c3cccnc3)c2)C(=O)N1CC1CCNCC1
InChIInChI=1S/C30H33N5O4.C27H25N5OS.C26H27N5O.2C20H17F6N3O/c1-20(36)34-13-11-21(12-14-34)19-35-28(38)30(2,33-29(35)31)25-9-4-7-23(17-25)22-6-3-8-24(16-22)27(37)32-18-26-10-5-15-39-26;1-27(24-14-22(17-34-24)21-10-4-9-20(13-21)16-29)23(25(33)32(2)26(30)31-27)11-5-7-18-6-3-8-19(12-18)15-28;27-25-30-26(22-8-2-1-3-9-22,24(32)31(25)18-19-11-14-28-15-12-19)23-10-4-6-20(16-23)21-7-5-13-29-17-21;2*1-18(13-4-3-5-14(10-13)20(24,25)26)15(16(30)29(2)17(27)28-18)11-6-8-12(9-7-11)19(21,22)23/h3-10,15-17,21H,11-14,18-19H2,1-2H3,(H2,31,33)(H,32,37);3-4,6,8-10,12-14,17,23H,5,7,11H2,1-2H3,(H2,30,31);1-10,13,16-17,19,28H,11-12,14-15,18H2,(H2,27,30);2*3-10,15H,1-2H3,(H2,27,28)/t;23?,27-;;15-,18+;15-,18-/m.0.01/s1
InChIKeyIGKUDBWCBVKCDX-HBLIEODESA-N
MW2279.49 g/mol
LogP20.48
Rot. Bonds22

About 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one

3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 158691695) has the molecular formula C123H119F12N21O8S and a molecular weight of 2279.49 g/mol. Its IUPAC name is 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID158691695
Molecular FormulaC123H119F12N21O8S
Molecular Weight2279.49 g/mol
Exact Mass2277.91
IUPAC Name3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(=O)NCc5ccco5)c4)c3)N=C2N)CC1.CN1C(=O)C(CCCc2cccc(C#N)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cccc(C(F)(F)F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cccc(C(F)(F)F)c2)N=C1N.NC1=NC(c2ccccc2)(c2cccc(-c3cccnc3)c2)C(=O)N1CC1CCNCC1
InChIInChI=1S/C30H33N5O4.C27H25N5OS.C26H27N5O.2C20H17F6N3O/c1-20(36)34-13-11-21(12-14-34)19-35-28(38)30(2,33-29(35)31)25-9-4-7-23(17-25)22-6-3-8-24(16-22)27(37)32-18-26-10-5-15-39-26;1-27(24-14-22(17-34-24)21-10-4-9-20(13-21)16-29)23(25(33)32(2)26(30)31-27)11-5-7-18-6-3-8-19(12-18)15-28;27-25-30-26(22-8-2-1-3-9-22,24(32)31(25)18-19-11-14-28-15-12-19)23-10-4-6-20(16-23)21-7-5-13-29-17-21;2*1-18(13-4-3-5-14(10-13)20(24,25)26)15(16(30)29(2)17(27)28-18)11-6-8-12(9-7-11)19(21,22)23/h3-10,15-17,21H,11-14,18-19H2,1-2H3,(H2,31,33)(H,32,37);3-4,6,8-10,12-14,17,23H,5,7,11H2,1-2H3,(H2,30,31);1-10,13,16-17,19,28H,11-12,14-15,18H2,(H2,27,30);2*3-10,15H,1-2H3,(H2,27,28)/t;23?,27-;;15-,18+;15-,18-/m.0.01/s1
InChIKeyIGKUDBWCBVKCDX-HBLIEODESA-N
XLogP20.48
TPSA428.50 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002279.49
LogP ≤ 520.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-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 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 158691695) is 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one is CC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(=O)NCc5ccco5)c4)c3)N=C2N)CC1.CN1C(=O)C(CCCc2cccc(C#N)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cccc(C(F)(F)F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C(F)(F)F)cc2)[C@@](C)(c2cccc(C(F)(F)F)c2)N=C1N.NC1=NC(c2ccccc2)(c2cccc(-c3cccnc3)c2)C(=O)N1CC1CCNCC1.
What is the InChIKey of 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is IGKUDBWCBVKCDX-HBLIEODESA-N. The full InChI is InChI=1S/C30H33N5O4.C27H25N5OS.C26H27N5O.2C20H17F6N3O/c1-20(36)34-13-11-21(12-14-34)19-35-28(38)30(2,33-29(35)31)25-9-4-7-23(17-25)22-6-3-8-24(16-22)27(37)32-18-26-10-5-15-39-26;1-27(24-14-22(17-34-24)21-10-4-9-20(13-21)16-29)23(25(33)32(2)26(30)31-27)11-5-7-18-6-3-8-19(12-18)15-28;27-25-30-26(22-8-2-1-3-9-22,24(32)31(25)18-19-11-14-28-15-12-19)23-10-4-6-20(16-23)21-7-5-13-29-17-21;2*1-18(13-4-3-5-14(10-13)20(24,25)26)15(16(30)29(2)17(27)28-18)11-6-8-12(9-7-11)19(21,22)23/h3-10,15-17,21H,11-14,18-19H2,1-2H3,(H2,31,33)(H,32,37);3-4,6,8-10,12-14,17,23H,5,7,11H2,1-2H3,(H2,30,31);1-10,13,16-17,19,28H,11-12,14-15,18H2,(H2,27,30);2*3-10,15H,1-2H3,(H2,27,28)/t;23?,27-;;15-,18+;15-,18-/m.0.01/s1.
What are the key properties of 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 2279.49 g/mol, XLogP of 20.48, 22 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-N-(furan-2-ylmethyl)benzamide;3-[3-[(4S)-2-amino-4-[4-(3-cyanophenyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]propyl]benzonitrile;(5S,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-6-[3-(trifluoromethyl)phenyl]-5-[4-(trifluoromethyl)phenyl]-5H-pyrimidin-4-one;2-amino-5-phenyl-3-(piperidin-4-ylmethyl)-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 158691695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).