7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C140H154F3N21O11 — CID 162190603

About 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 162190603) has the molecular formula C140H154F3N21O11 and a molecular weight of 2363.90 g/mol. Its IUPAC name is 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 162190603
• Molecular Formula: C140H154F3N21O11
• Molecular Weight: 2363.90 g/mol
• Exact Mass: 2362.21
• IUPAC Name: 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)CCCN(C)C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)CCCN3CCCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)CC(F)(F)F)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCN(C)CC3)cc1)C(=O)C2.COCCN(C)C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
• InChI: InChI=1S/C31H36N4O2.C28H31N5O2.C28H32N4O2.C27H30N4O3.C26H25F3N4O2/c1-22(2)26-9-4-5-10-27(26)30-32-20-25-19-29(37)35(31(25)33-30)21-23-12-14-24(15-13-23)28(36)11-8-18-34-16-6-3-7-17-34;1-19(2)23-6-4-5-7-24(23)26-29-17-22-16-25(34)33(27(22)30-26)18-20-8-10-21(11-9-20)28(35)32-14-12-31(3)13-15-32;1-19(2)23-8-5-6-9-24(23)27-29-17-22-16-26(34)32(28(22)30-27)18-20-11-13-21(14-12-20)25(33)10-7-15-31(3)4;1-18(2)22-7-5-6-8-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-9-11-20(12-10-19)27(33)30(3)13-14-34-4;1-16(2)20-6-4-5-7-21(20)23-30-13-19-12-22(34)33(24(19)31-23)14-17-8-10-18(11-9-17)25(35)32(3)15-26(27,28)29/h4-5,9-10,12-15,20,22H,3,6-8,11,16-19,21H2,1-2H3;4-11,17,19H,12-16,18H2,1-3H3;5-6,8-9,11-14,17,19H,7,10,15-16,18H2,1-4H3;5-12,16,18H,13-15,17H2,1-4H3;4-11,13,16H,12,14-15H2,1-3H3
• InChIKey: ZQGCQVNYAUTSKQ-UHFFFAOYSA-N
• XLogP: 23.50
• TPSA: 344.47 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2363.90
LogP ≤ 5	23.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 162190603) is 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)CCCN(C)C)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)CCCN3CCCCC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N(C)CC(F)(F)F)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCN(C)CC3)cc1)C(=O)C2.COCCN(C)C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.

What is the InChIKey of 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is ZQGCQVNYAUTSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2.C28H31N5O2.C28H32N4O2.C27H30N4O3.C26H25F3N4O2/c1-22(2)26-9-4-5-10-27(26)30-32-20-25-19-29(37)35(31(25)33-30)21-23-12-14-24(15-13-23)28(36)11-8-18-34-16-6-3-7-17-34;1-19(2)23-6-4-5-7-24(23)26-29-17-22-16-25(34)33(27(22)30-26)18-20-8-10-21(11-9-20)28(35)32-14-12-31(3)13-15-32;1-19(2)23-8-5-6-9-24(23)27-29-17-22-16-26(34)32(28(22)30-27)18-20-11-13-21(14-12-20)25(33)10-7-15-31(3)4;1-18(2)22-7-5-6-8-23(22)25-28-16-21-15-24(32)31(26(21)29-25)17-19-9-11-20(12-10-19)27(33)30(3)13-14-34-4;1-16(2)20-6-4-5-7-21(20)23-30-13-19-12-22(34)33(24(19)31-23)14-17-8-10-18(11-9-17)25(35)32(3)15-26(27,28)29/h4-5,9-10,12-15,20,22H,3,6-8,11,16-19,21H2,1-2H3;4-11,17,19H,12-16,18H2,1-3H3;5-6,8-9,11-14,17,19H,7,10,15-16,18H2,1-4H3;5-12,16,18H,13-15,17H2,1-4H3;4-11,13,16H,12,14-15H2,1-3H3.

What are the key properties of 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2363.90 g/mol, XLogP of 23.50, 37 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-[4-(dimethylamino)butanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-(2-methoxyethyl)-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide;N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide;7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-(4-piperidin-1-ylbutanoyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 162190603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).