5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C174H157FN28O18 — CID 158755058

About 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 158755058) has the molecular formula C174H157FN28O18 and a molecular weight of 2947.35 g/mol. Its IUPAC name is 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
• PubChem CID: 158755058
• Molecular Formula: C174H157FN28O18
• Molecular Weight: 2947.35 g/mol
• Exact Mass: 2945.22
• IUPAC Name: 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
• SMILES: CC(C)(O)COc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.CN(C)CCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.COCCOc1ccc(-c2cn(-c3cccc(F)c3)c3nc[nH]c(=O)c23)cc1.COc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.Cc1cccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c1.O=C1CCCCN1c1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.O=C1CCCN1c1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.O=c1[nH]cnc2c1c(-c1ccc(OCCCN3CCOCC3)cc1)cn2-c1ccccc1
• InChI: InChI=1S/C25H26N4O3.C23H20N4O2.C23H24N4O2.C22H18N4O2.C22H21N3O3.C21H18FN3O3.C19H15N3O2.C19H15N3O/c30-25-23-22(17-29(24(23)26-18-27-25)20-5-2-1-3-6-20)19-7-9-21(10-8-19)32-14-4-11-28-12-15-31-16-13-28;28-20-8-4-5-13-26(20)18-11-9-16(10-12-18)19-14-27(17-6-2-1-3-7-17)22-21(19)23(29)25-15-24-22;1-26(2)13-6-14-29-19-11-9-17(10-12-19)20-15-27(18-7-4-3-5-8-18)22-21(20)23(28)25-16-24-22;27-19-7-4-12-25(19)17-10-8-15(9-11-17)18-13-26(16-5-2-1-3-6-16)21-20(18)22(28)24-14-23-21;1-22(2,27)13-28-17-10-8-15(9-11-17)18-12-25(16-6-4-3-5-7-16)20-19(18)21(26)24-14-23-20;1-27-9-10-28-17-7-5-14(6-8-17)18-12-25(16-4-2-3-15(22)11-16)20-19(18)21(26)24-13-23-20;1-24-15-9-7-13(8-10-15)16-11-22(14-5-3-2-4-6-14)18-17(16)19(23)21-12-20-18;1-13-6-5-7-14(10-13)16-11-22(15-8-3-2-4-9-15)18-17(16)19(23)21-12-20-18/h1-3,5-10,17-18H,4,11-16H2,(H,26,27,30);1-3,6-7,9-12,14-15H,4-5,8,13H2,(H,24,25,29);3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,24,25,28);1-3,5-6,8-11,13-14H,4,7,12H2,(H,23,24,28);3-12,14,27H,13H2,1-2H3,(H,23,24,26);2-8,11-13H,9-10H2,1H3,(H,23,24,26);2-12H,1H3,(H,20,21,23);2-12H,1H3,(H,20,21,23)
• InChIKey: INYRFGLQDARONW-UHFFFAOYSA-N
• XLogP: 28.75
• TPSA: 537.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 36
• Rotatable Bonds: 36
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2947.35
LogP ≤ 5	28.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?

The IUPAC name of 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 158755058) is 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?

The canonical SMILES for 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is CC(C)(O)COc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.CN(C)CCCOc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.COCCOc1ccc(-c2cn(-c3cccc(F)c3)c3nc[nH]c(=O)c23)cc1.COc1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.Cc1cccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)c1.O=C1CCCCN1c1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.O=C1CCCN1c1ccc(-c2cn(-c3ccccc3)c3nc[nH]c(=O)c23)cc1.O=c1[nH]cnc2c1c(-c1ccc(OCCCN3CCOCC3)cc1)cn2-c1ccccc1.

What is the InChIKey of 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?

The InChIKey is INYRFGLQDARONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3.C23H20N4O2.C23H24N4O2.C22H18N4O2.C22H21N3O3.C21H18FN3O3.C19H15N3O2.C19H15N3O/c30-25-23-22(17-29(24(23)26-18-27-25)20-5-2-1-3-6-20)19-7-9-21(10-8-19)32-14-4-11-28-12-15-31-16-13-28;28-20-8-4-5-13-26(20)18-11-9-16(10-12-18)19-14-27(17-6-2-1-3-7-17)22-21(19)23(29)25-15-24-22;1-26(2)13-6-14-29-19-11-9-17(10-12-19)20-15-27(18-7-4-3-5-8-18)22-21(20)23(28)25-16-24-22;27-19-7-4-12-25(19)17-10-8-15(9-11-17)18-13-26(16-5-2-1-3-6-16)21-20(18)22(28)24-14-23-21;1-22(2,27)13-28-17-10-8-15(9-11-17)18-12-25(16-6-4-3-5-7-16)20-19(18)21(26)24-14-23-20;1-27-9-10-28-17-7-5-14(6-8-17)18-12-25(16-4-2-3-15(22)11-16)20-19(18)21(26)24-13-23-20;1-24-15-9-7-13(8-10-15)16-11-22(14-5-3-2-4-6-14)18-17(16)19(23)21-12-20-18;1-13-6-5-7-14(10-13)16-11-22(15-8-3-2-4-9-15)18-17(16)19(23)21-12-20-18/h1-3,5-10,17-18H,4,11-16H2,(H,26,27,30);1-3,6-7,9-12,14-15H,4-5,8,13H2,(H,24,25,29);3-5,7-12,15-16H,6,13-14H2,1-2H3,(H,24,25,28);1-3,5-6,8-11,13-14H,4,7,12H2,(H,23,24,28);3-12,14,27H,13H2,1-2H3,(H,23,24,26);2-8,11-13H,9-10H2,1H3,(H,23,24,26);2-12H,1H3,(H,20,21,23);2-12H,1H3,(H,20,21,23).

What are the key properties of 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?

5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 2947.35 g/mol, XLogP of 28.75, 36 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(dimethylamino)propoxy]phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;7-(3-fluorophenyl)-5-[4-(2-methoxyethoxy)phenyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-hydroxy-2-methylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(4-methoxyphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(3-morpholin-4-ylpropoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopiperidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-[4-(2-oxopyrrolidin-1-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 158755058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).