(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C142H158ClN29O10S2 — CID 159740143

About (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 159740143) has the molecular formula C142H158ClN29O10S2 and a molecular weight of 2530.61 g/mol. Its IUPAC name is (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

• Compound Name: (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one
• PubChem CID: 159740143
• Molecular Formula: C142H158ClN29O10S2
• Molecular Weight: 2530.61 g/mol
• Exact Mass: 2528.19
• IUPAC Name: (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one
• SMILES: CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(C(=O)NC3CCCCC3)C2)C1=O.CCc1cccc(-n2cc([C@]3(C)CC(=O)N(C)C(N)=N3)cn2)c1.CN1C(=O)C(c2ccc(N3CCC3=O)cc2)[C@@](C)(c2ccc(-c3cccc(C#N)c3)s2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3cn(CCC4CC4)nc3c2)N=C1N.CN1C(=O)[C@@H](C(CC(=O)/C=C/c2ccccc2)c2ccccc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@](C)(C[C@H]2CCC[C@H](NC(=O)Nc3ccccc3)C2)N=C1N
• InChI: InChI=1S/C34H30N4O2S.C28H34ClN5O2.C26H23N5O2S.C19H27N5O2.C18H23N5O.C17H21N5O/c1-34(30-19-27(22-41-30)26-15-9-12-24(18-26)21-35)31(32(40)38(2)33(36)37-34)29(25-13-7-4-8-14-25)20-28(39)17-16-23-10-5-3-6-11-23;1-28(22-9-5-7-20(15-22)21-8-6-10-23(29)16-21)25(35)34(26(30)32-28)18-19-13-14-33(17-19)27(36)31-24-11-3-2-4-12-24;1-26(21-11-10-20(34-21)18-5-3-4-16(14-18)15-27)23(24(33)30(2)25(28)29-26)17-6-8-19(9-7-17)31-13-12-22(31)32;1-19(16(25)24(2)17(20)23-19)12-13-7-6-10-15(11-13)22-18(26)21-14-8-4-3-5-9-14;1-18(10-16(24)22(2)17(19)20-18)14-6-5-13-11-23(21-15(13)9-14)8-7-12-3-4-12;1-4-12-6-5-7-14(8-12)22-11-13(10-19-22)17(2)9-15(23)21(3)16(18)20-17/h3-19,22,29,31H,20H2,1-2H3,(H2,36,37);5-10,15-16,19,24H,2-4,11-14,17-18H2,1H3,(H2,30,32)(H,31,36);3-11,14,23H,12-13H2,1-2H3,(H2,28,29);3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H2,20,23)(H2,21,22,26);5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H2,19,20);5-8,10-11H,4,9H2,1-3H3,(H2,18,20)/b17-16+;;;;;/t29?,31-,34-;19-,28?;23?,26-;13-,15-,19+;18-;17-/m101000/s1
• InChIKey: NCIUJQNCBGPJQH-XPLJCOFSSA-N
• XLogP: 21.27
• TPSA: 546.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2530.61
LogP ≤ 5	21.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The IUPAC name of (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 159740143) is (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

What is the SMILES notation for (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The canonical SMILES for (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(C(=O)NC3CCCCC3)C2)C1=O.CCc1cccc(-n2cc([C@]3(C)CC(=O)N(C)C(N)=N3)cn2)c1.CN1C(=O)C(c2ccc(N3CCC3=O)cc2)[C@@](C)(c2ccc(-c3cccc(C#N)c3)s2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3cn(CCC4CC4)nc3c2)N=C1N.CN1C(=O)[C@@H](C(CC(=O)/C=C/c2ccccc2)c2ccccc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@@](C)(C[C@H]2CCC[C@H](NC(=O)Nc3ccccc3)C2)N=C1N.

What is the InChIKey of (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

The InChIKey is NCIUJQNCBGPJQH-XPLJCOFSSA-N. The full InChI is InChI=1S/C34H30N4O2S.C28H34ClN5O2.C26H23N5O2S.C19H27N5O2.C18H23N5O.C17H21N5O/c1-34(30-19-27(22-41-30)26-15-9-12-24(18-26)21-35)31(32(40)38(2)33(36)37-34)29(25-13-7-4-8-14-25)20-28(39)17-16-23-10-5-3-6-11-23;1-28(22-9-5-7-20(15-22)21-8-6-10-23(29)16-21)25(35)34(26(30)32-28)18-19-13-14-33(17-19)27(36)31-24-11-3-2-4-12-24;1-26(21-11-10-20(34-21)18-5-3-4-16(14-18)15-27)23(24(33)30(2)25(28)29-26)17-6-8-19(9-7-17)31-13-12-22(31)32;1-19(16(25)24(2)17(20)23-19)12-13-7-6-10-15(11-13)22-18(26)21-14-8-4-3-5-9-14;1-18(10-16(24)22(2)17(19)20-18)14-6-5-13-11-23(21-15(13)9-14)8-7-12-3-4-12;1-4-12-6-5-7-14(8-12)22-11-13(10-19-22)17(2)9-15(23)21(3)16(18)20-17/h3-19,22,29,31H,20H2,1-2H3,(H2,36,37);5-10,15-16,19,24H,2-4,11-14,17-18H2,1H3,(H2,30,32)(H,31,36);3-11,14,23H,12-13H2,1-2H3,(H2,28,29);3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H2,20,23)(H2,21,22,26);5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H2,19,20);5-8,10-11H,4,9H2,1-3H3,(H2,18,20)/b17-16+;;;;;/t29?,31-,34-;19-,28?;23?,26-;13-,15-,19+;18-;17-/m101000/s1.

What are the key properties of (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one?

(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 2530.61 g/mol, XLogP of 21.27, 28 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-cyclohexylpyrrolidine-1-carboxamide;(6S)-2-amino-6-[2-(2-cyclopropylethyl)indazol-6-yl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1S,3S)-3-[[(4R)-2-amino-1,4-dimethyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-phenylurea;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-6-[1-(3-ethylphenyl)pyrazol-4-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 159740143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).