2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide

C127H116ClF8N23O8S3 — CID 161109964

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide (PubChem CID 161109964) has the molecular formula C127H116ClF8N23O8S3 and a molecular weight of 2376.12 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide
• PubChem CID: 161109964
• Molecular Formula: C127H116ClF8N23O8S3
• Molecular Weight: 2376.12 g/mol
• Exact Mass: 2373.81
• IUPAC Name: 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide
• SMILES: CC1Oc2ccc(C#N)cc2-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)sc21.CN1C(=O)C(c2ccc(C3CCC3)cc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(c2nccs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3cccnc3)c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cccc(F)c2F)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cccc(F)c2F)N=C1N
• InChI: InChI=1S/C27H26N4OS.C22H19N5O2.2C20H19F4N3O.C19H15ClN4OS.C19H18N4O2S/c1-27(23-14-22(16-33-23)21-8-3-5-17(13-21)15-28)24(25(32)31(2)26(29)30-27)20-11-9-19(10-12-20)18-6-4-7-18;1-27-20(29)22(26-21(27)23,16-8-3-2-4-9-16)17-10-5-11-18(13-17)25-19(28)15-7-6-12-24-14-15;2*1-19(13-5-4-6-14(21)16(13)22)15(17(28)27(3)18(25)26-19)11-7-9-12(10-8-11)20(2,23)24;1-24-17(25)19(23-18(24)21,16-22-8-9-26-16)14-6-2-4-12(10-14)13-5-3-7-15(20)11-13;1-10-17-13(12-6-11(9-20)4-5-14(12)25-10)7-15(26-17)19(2)8-16(24)23(3)18(21)22-19/h3,5,8-14,16,18,24H,4,6-7H2,1-2H3,(H2,29,30);2-14H,1H3,(H2,23,26)(H,25,28);2*4-10,15H,1-3H3,(H2,25,26);2-11H,1H3,(H2,21,23);4-7,10H,8H2,1-3H3,(H2,21,22)/t24?,27-;;15-,19+;15-,19-;;10?,19-/m1.01.0/s1
• InChIKey: UJOFMDCMOCZJLP-KNJAAFKOSA-N
• XLogP: 22.05
• TPSA: 463.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2376.12
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide (CID 161109964) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide is CC1Oc2ccc(C#N)cc2-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)sc21.CN1C(=O)C(c2ccc(C3CCC3)cc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(c2nccs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NC(=O)c3cccnc3)c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cccc(F)c2F)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cccc(F)c2F)N=C1N.

What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide?

The InChIKey is UJOFMDCMOCZJLP-KNJAAFKOSA-N. The full InChI is InChI=1S/C27H26N4OS.C22H19N5O2.2C20H19F4N3O.C19H15ClN4OS.C19H18N4O2S/c1-27(23-14-22(16-33-23)21-8-3-5-17(13-21)15-28)24(25(32)31(2)26(29)30-27)20-11-9-19(10-12-20)18-6-4-7-18;1-27-20(29)22(26-21(27)23,16-8-3-2-4-9-16)17-10-5-11-18(13-17)25-19(28)15-7-6-12-24-14-15;2*1-19(13-5-4-6-14(21)16(13)22)15(17(28)27(3)18(25)26-19)11-7-9-12(10-8-11)20(2,23)24;1-24-17(25)19(23-18(24)21,16-22-8-9-26-16)14-6-2-4-12(10-14)13-5-3-7-15(20)11-13;1-10-17-13(12-6-11(9-20)4-5-14(12)25-10)7-15(26-17)19(2)8-16(24)23(3)18(21)22-19/h3,5,8-14,16,18,24H,4,6-7H2,1-2H3,(H2,29,30);2-14H,1H3,(H2,23,26)(H,25,28);2*4-10,15H,1-3H3,(H2,25,26);2-11H,1H3,(H2,21,23);4-7,10H,8H2,1-3H3,(H2,21,22)/t24?,27-;;15-,19+;15-,19-;;10?,19-/m1.01.0/s1.

What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide?

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 2376.12 g/mol, XLogP of 22.05, 18 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-(1,3-thiazol-2-yl)imidazol-4-one;3-[5-[(4S)-2-amino-5-(4-cyclobutylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-4-methyl-4H-thieno[2,3-c]chromene-8-carbonitrile;N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 161109964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).