7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C143H154N20O16 — CID 158683625

About 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 158683625) has the molecular formula C143H154N20O16 and a molecular weight of 2408.93 g/mol. Its IUPAC name is 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 158683625
• Molecular Formula: C143H154N20O16
• Molecular Weight: 2408.93 g/mol
• Exact Mass: 2407.19
• IUPAC Name: 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(=O)N1CCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)CC3COC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC[C@H]3CO)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)C(=O)C2.COCCO[C@H]1CCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)C1
• InChI: InChI=1S/C30H34N4O4.C29H31N5O3.C29H32N4O3.C28H30N4O3.C27H27N3O3/c1-20(2)25-6-4-5-7-26(25)28-31-17-23-16-27(35)34(29(23)32-28)18-21-8-10-22(11-9-21)30(36)33-13-12-24(19-33)38-15-14-37-3;1-19(2)24-6-4-5-7-25(24)27-30-17-23-16-26(36)34(28(23)31-27)18-21-8-10-22(11-9-21)29(37)33-14-12-32(13-15-33)20(3)35;1-18(2)24-7-5-6-8-25(24)27-30-14-23-13-26(34)33(28(23)31-27)17-21-9-11-22(12-10-21)29(35)32-15-19(3)36-20(4)16-32;1-18(2)23-7-3-4-8-24(23)26-29-15-21-14-25(34)32(27(21)30-26)16-19-9-11-20(12-10-19)28(35)31-13-5-6-22(31)17-33;1-17(2)22-5-3-4-6-23(22)26-28-13-21-12-25(32)30(27(21)29-26)14-18-7-9-20(10-8-18)24(31)11-19-15-33-16-19/h4-11,17,20,24H,12-16,18-19H2,1-3H3;4-11,17,19H,12-16,18H2,1-3H3;5-12,14,18-20H,13,15-17H2,1-4H3;3-4,7-12,15,18,22,33H,5-6,13-14,16-17H2,1-2H3;3-10,13,17,19H,11-12,14-16H2,1-2H3/t24-;;19-,20+;22-;/m0..0./s1
• InChIKey: IFLKKCHIRREQTQ-VDDMHZDRSA-N
• XLogP: 21.03
• TPSA: 406.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2408.93
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 158683625) is 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC(=O)N1CCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)CC1.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)CC3COC3)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3CCC[C@H]3CO)cc1)C(=O)C2.CC(C)c1ccccc1-c1ncc2c(n1)N(Cc1ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc1)C(=O)C2.COCCO[C@H]1CCN(C(=O)c2ccc(CN3C(=O)Cc4cnc(-c5ccccc5C(C)C)nc43)cc2)C1.

What is the InChIKey of 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is IFLKKCHIRREQTQ-VDDMHZDRSA-N. The full InChI is InChI=1S/C30H34N4O4.C29H31N5O3.C29H32N4O3.C28H30N4O3.C27H27N3O3/c1-20(2)25-6-4-5-7-26(25)28-31-17-23-16-27(35)34(29(23)32-28)18-21-8-10-22(11-9-21)30(36)33-13-12-24(19-33)38-15-14-37-3;1-19(2)24-6-4-5-7-25(24)27-30-17-23-16-26(36)34(28(23)31-27)18-21-8-10-22(11-9-21)29(37)33-14-12-32(13-15-33)20(3)35;1-18(2)24-7-5-6-8-25(24)27-30-14-23-13-26(34)33(28(23)31-27)17-21-9-11-22(12-10-21)29(35)32-15-19(3)36-20(4)16-32;1-18(2)23-7-3-4-8-24(23)26-29-15-21-14-25(34)32(27(21)30-26)16-19-9-11-20(12-10-19)28(35)31-13-5-6-22(31)17-33;1-17(2)22-5-3-4-6-23(22)26-28-13-21-12-25(32)30(27(21)29-26)14-18-7-9-20(10-8-18)24(31)11-19-15-33-16-19/h4-11,17,20,24H,12-16,18-19H2,1-3H3;4-11,17,19H,12-16,18H2,1-3H3;5-12,14,18-20H,13,15-17H2,1-4H3;3-4,7-12,15,18,22,33H,5-6,13-14,16-17H2,1-2H3;3-10,13,17,19H,11-12,14-16H2,1-2H3/t24-;;19-,20+;22-;/m0..0./s1.

What are the key properties of 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?

7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 2408.93 g/mol, XLogP of 21.03, 32 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[(3S)-3-(2-methoxyethoxy)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[2-(oxetan-3-yl)acetyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 158683625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).