N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

C121H136ClN39O20 — CID 158009444

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 158009444) has the molecular formula C121H136ClN39O20 and a molecular weight of 2492.12 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
• PubChem CID: 158009444
• Molecular Formula: C121H136ClN39O20
• Molecular Weight: 2492.12 g/mol
• Exact Mass: 2490.05
• IUPAC Name: N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
• SMILES: CC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc2)CC1.C[C@H]1CN(C(=O)c2ccccc2)CCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n(C)c1=O
• InChI: InChI=1S/C27H29N7O4.C25H25ClN8O4.C25H26N8O4.C24H32N8O4.C20H24N8O4/c1-18-15-32(25(36)19-7-5-4-6-8-19)13-14-34(18)21-11-9-20(10-12-21)29-22(35)16-33-17-28-24-23(33)26(37)31(3)27(38)30(24)2;1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-8-7-18(13-27-19)32-9-11-33(12-10-32)23(36)16-3-5-17(26)6-4-16;1-29-22-21(24(36)30(2)25(29)37)33(16-27-22)15-20(34)28-19-9-8-18(14-26-19)31-10-12-32(13-11-31)23(35)17-6-4-3-5-7-17;1-24(2,3)12-19(34)31-10-8-30(9-11-31)16-6-7-17(25-13-16)27-18(33)14-32-15-26-21-20(32)22(35)29(5)23(36)28(21)4;1-13(29)26-6-8-27(9-7-26)14-4-5-15(21-10-14)23-16(30)11-28-12-22-18-17(28)19(31)25(3)20(32)24(18)2/h4-12,17-18H,13-16H2,1-3H3,(H,29,35);3-8,13,15H,9-12,14H2,1-2H3,(H,27,29,35);3-9,14,16H,10-13,15H2,1-2H3,(H,26,28,34);6-7,13,15H,8-12,14H2,1-5H3,(H,25,27,33);4-5,10,12H,6-9,11H2,1-3H3,(H,21,23,30)/t18-;;;;/m0..../s1
• InChIKey: FERXBVRUYIGFRB-DEXDRMDJSA-N
• XLogP: 2.62
• TPSA: 623.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 49
• Rotatable Bonds: 24
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2492.12
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?

The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide (CID 158009444) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide.

What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?

The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc2)CC1.C[C@H]1CN(C(=O)c2ccccc2)CCN1c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)cn2)n(C)c1=O.

What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?

The InChIKey is FERXBVRUYIGFRB-DEXDRMDJSA-N. The full InChI is InChI=1S/C27H29N7O4.C25H25ClN8O4.C25H26N8O4.C24H32N8O4.C20H24N8O4/c1-18-15-32(25(36)19-7-5-4-6-8-19)13-14-34(18)21-11-9-20(10-12-21)29-22(35)16-33-17-28-24-23(33)26(37)31(3)27(38)30(24)2;1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-8-7-18(13-27-19)32-9-11-33(12-10-32)23(36)16-3-5-17(26)6-4-16;1-29-22-21(24(36)30(2)25(29)37)33(16-27-22)15-20(34)28-19-9-8-18(14-26-19)31-10-12-32(13-11-31)23(35)17-6-4-3-5-7-17;1-24(2,3)12-19(34)31-10-8-30(9-11-31)16-6-7-17(25-13-16)27-18(33)14-32-15-26-21-20(32)22(35)29(5)23(36)28(21)4;1-13(29)26-6-8-27(9-7-26)14-4-5-15(21-10-14)23-16(30)11-28-12-22-18-17(28)19(31)25(3)20(32)24(18)2/h4-12,17-18H,13-16H2,1-3H3,(H,29,35);3-8,13,15H,9-12,14H2,1-2H3,(H,27,29,35);3-9,14,16H,10-13,15H2,1-2H3,(H,26,28,34);6-7,13,15H,8-12,14H2,1-5H3,(H,25,27,33);4-5,10,12H,6-9,11H2,1-3H3,(H,21,23,30)/t18-;;;;/m0..../s1.

What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide?

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 2492.12 g/mol, XLogP of 2.62, 24 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-[(2S)-4-benzoyl-2-methylpiperazin-1-yl]phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-(4-benzoylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 158009444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).