2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile

C122H117F2N19O6S5 — CID 159153933

About 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile

2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile (PubChem CID 159153933) has the molecular formula C122H117F2N19O6S5 and a molecular weight of 2143.74 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile
• PubChem CID: 159153933
• Molecular Formula: C122H117F2N19O6S5
• Molecular Weight: 2143.74 g/mol
• Exact Mass: 2141.80
• IUPAC Name: 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile
• SMILES: CC(C)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3F)cs2)cc1.CC(C)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3F)cs2)cc1.CN1C(=O)C(C/C=C/c2cccs2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.COc1ccc2c(c1)CCC21C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cccc(C#N)c2)cs1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1Cc2ccccc2C1
• InChI: InChI=1S/C26H24N4O2S.2C24H25FN4OS.C24H22N4OS2.C24H21N3O/c1-25(22-13-19(15-33-22)17-6-4-5-16(11-17)14-27)26(23(31)30(2)24(28)29-25)10-9-18-12-20(32-3)7-8-21(18)26;2*1-14(2)15-7-9-16(10-8-15)20-22(30)29(4)23(26)28-24(20,3)19-12-17(13-31-19)18-6-5-11-27-21(18)25;1-24(21-13-18(15-31-21)17-7-3-6-16(12-17)14-25)20(22(29)28(2)23(26)27-24)10-4-8-19-9-5-11-30-19;25-23-26-24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)22(28)27(23)21-15-17-9-7-8-10-18(17)16-21/h4-8,11-13,15H,9-10H2,1-3H3,(H2,28,29);2*5-14,20H,1-4H3,(H2,26,28);3-9,11-13,15,20H,10H2,1-2H3,(H2,26,27);1-14,21H,15-16H2,(H2,25,26)/b;;;8-4+;/t25-,26?;20-,24+;20-,24-;20?,24-;/m1010./s1
• InChIKey: KJQNXIHZXBGRNR-BDZHLKQMSA-N
• XLogP: 22.22
• TPSA: 376.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.74
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile?

The IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile (CID 159153933) is 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile.

What is the SMILES notation for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile?

The canonical SMILES for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile is CC(C)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3F)cs2)cc1.CC(C)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccnc3F)cs2)cc1.CN1C(=O)C(C/C=C/c2cccs2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.COc1ccc2c(c1)CCC21C(=O)N(C)C(N)=N[C@]1(C)c1cc(-c2cccc(C#N)c2)cs1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C1Cc2ccccc2C1.

What is the InChIKey of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile?

The InChIKey is KJQNXIHZXBGRNR-BDZHLKQMSA-N. The full InChI is InChI=1S/C26H24N4O2S.2C24H25FN4OS.C24H22N4OS2.C24H21N3O/c1-25(22-13-19(15-33-22)17-6-4-5-16(11-17)14-27)26(23(31)30(2)24(28)29-25)10-9-18-12-20(32-3)7-8-21(18)26;2*1-14(2)15-7-9-16(10-8-15)20-22(30)29(4)23(26)28-24(20,3)19-12-17(13-31-19)18-6-5-11-27-21(18)25;1-24(21-13-18(15-31-21)17-7-3-6-16(12-17)14-25)20(22(29)28(2)23(26)27-24)10-4-8-19-9-5-11-30-19;25-23-26-24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)22(28)27(23)21-15-17-9-7-8-10-18(17)16-21/h4-8,11-13,15H,9-10H2,1-3H3,(H2,28,29);2*5-14,20H,1-4H3,(H2,26,28);3-9,11-13,15,20H,10H2,1-2H3,(H2,26,27);1-14,21H,15-16H2,(H2,25,26)/b;;;8-4+;/t25-,26?;20-,24+;20-,24-;20?,24-;/m1010./s1.

What are the key properties of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile?

2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile has a molecular weight of 2143.74 g/mol, XLogP of 22.22, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-5,5-diphenylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-thiophen-2-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(5S,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[4-(2-fluoro-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5-(4-propan-2-ylphenyl)-5H-pyrimidin-4-one;3-[5-[(4'S)-2'-amino-6-methoxy-1',4'-dimethyl-6'-oxospiro[1,2-dihydroindene-3,5'-pyrimidine]-4'-yl]thiophen-3-yl]benzonitrile is sourced from PubChem (CID 159153933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).