3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

C130H137FN22O9S2 — CID 161131671

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 161131671) has the molecular formula C130H137FN22O9S2 and a molecular weight of 2234.80 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
• PubChem CID: 161131671
• Molecular Formula: C130H137FN22O9S2
• Molecular Weight: 2234.80 g/mol
• Exact Mass: 2233.04
• IUPAC Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
• SMILES: CCN(Cc1ccncc1)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)C(C/C=C/c2cccc(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.COc1ccc(CNCC2CC2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.COc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2C)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)C1
• InChI: InChI=1S/C31H29N5O2.C30H39N5O3.C26H23FN4OS.C26H26N4O.C17H20N4O2S/c1-2-35(21-23-16-18-33-19-17-23)28(37)25-11-9-10-24(20-25)22-36-29(38)31(34-30(36)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-20(36)34-13-11-22(12-14-34)19-35-28(37)30(2,33-29(35)31)25-6-4-5-23(15-25)27-16-26(38-3)10-9-24(27)18-32-17-21-7-8-21;1-26(23-14-20(16-33-23)19-9-3-8-18(12-19)15-28)22(24(32)31(2)25(29)30-26)11-5-7-17-6-4-10-21(27)13-17;27-25-28-26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24(31)30(25)23-16-17-29(19-23)18-20-10-4-1-5-11-20;1-10-13(11-5-12(23-4)8-19-7-11)9-24-15(10)17(2)6-14(22)21(3)16(18)20-17/h3-20H,2,21-22H2,1H3,(H2,32,34);4-6,9-10,15-16,21-22,32H,7-8,11-14,17-19H2,1-3H3,(H2,31,33);3-10,12-14,16,22H,11H2,1-2H3,(H2,29,30);1-15,23H,16-19H2,(H2,27,28);5,7-9H,6H2,1-4H3,(H2,18,20)/b;;7-5+;;/t;;22?,26-;;17-/m..0.0/s1
• InChIKey: UMGRAHBAEQYPCP-VUBYJGCTSA-N
• XLogP: 18.87
• TPSA: 417.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2234.80
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?

The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (CID 161131671) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.

What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?

The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)C(C/C=C/c2cccc(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.COc1ccc(CNCC2CC2)c(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.COc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2C)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1CCN(Cc2ccccc2)C1.

What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?

The InChIKey is UMGRAHBAEQYPCP-VUBYJGCTSA-N. The full InChI is InChI=1S/C31H29N5O2.C30H39N5O3.C26H23FN4OS.C26H26N4O.C17H20N4O2S/c1-2-35(21-23-16-18-33-19-17-23)28(37)25-11-9-10-24(20-25)22-36-29(38)31(34-30(36)32,26-12-5-3-6-13-26)27-14-7-4-8-15-27;1-20(36)34-13-11-22(12-14-34)19-35-28(37)30(2,33-29(35)31)25-6-4-5-23(15-25)27-16-26(38-3)10-9-24(27)18-32-17-21-7-8-21;1-26(23-14-20(16-33-23)19-9-3-8-18(12-19)15-28)22(24(32)31(2)25(29)30-26)11-5-7-17-6-4-10-21(27)13-17;27-25-28-26(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24(31)30(25)23-16-17-29(19-23)18-20-10-4-1-5-11-20;1-10-13(11-5-12(23-4)8-19-7-11)9-24-15(10)17(2)6-14(22)21(3)16(18)20-17/h3-20H,2,21-22H2,1H3,(H2,32,34);4-6,9-10,15-16,21-22,32H,7-8,11-14,17-19H2,1-3H3,(H2,31,33);3-10,12-14,16,22H,11H2,1-2H3,(H2,29,30);1-15,23H,16-19H2,(H2,27,28);5,7-9H,6H2,1-4H3,(H2,18,20)/b;;7-5+;;/t;;22?,26-;;17-/m..0.0/s1.

What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 2234.80 g/mol, XLogP of 18.87, 30 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[2-[(cyclopropylmethylamino)methyl]-5-methoxyphenyl]phenyl]-5-methylimidazol-4-one;2-amino-3-(1-benzylpyrrolidin-3-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-5-[(E)-3-(3-fluorophenyl)prop-2-enyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[4-(5-methoxy-3-pyridinyl)-3-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 161131671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).