N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide

C123H128F4N40O18S — CID 157229689

About N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide

N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide (PubChem CID 157229689) has the molecular formula C123H128F4N40O18S and a molecular weight of 2562.70 g/mol. Its IUPAC name is N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
• PubChem CID: 157229689
• Molecular Formula: C123H128F4N40O18S
• Molecular Weight: 2562.70 g/mol
• Exact Mass: 2561.00
• IUPAC Name: N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide
• SMILES: Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(Cc4cc(F)cc(F)c4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cn2)n(C)c1=O
• InChI: InChI=1S/C25H26F2N8O3.2C25H25FN8O4.C25H28N8O3.C23H24N8O4S/c1-31-23-22(24(37)32(2)25(31)38)35(15-29-23)14-21(36)30-20-4-3-19(12-28-20)34-7-5-33(6-8-34)13-16-9-17(26)11-18(27)10-16;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;1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-7-6-18(13-27-19)32-8-10-33(11-9-32)23(36)16-4-3-5-17(26)12-16;1-29-23-22(24(35)30(2)25(29)36)33(17-27-23)16-21(34)28-20-9-8-19(14-26-20)32-12-10-31(11-13-32)15-18-6-4-3-5-7-18;1-27-20-19(22(34)28(2)23(27)35)31(14-25-20)13-18(32)26-17-6-5-15(12-24-17)29-7-9-30(10-8-29)21(33)16-4-3-11-36-16/h3-4,9-12,15H,5-8,13-14H2,1-2H3,(H,28,30,36);3-8,13,15H,9-12,14H2,1-2H3,(H,27,29,35);3-7,12-13,15H,8-11,14H2,1-2H3,(H,27,29,35);3-9,14,17H,10-13,15-16H2,1-2H3,(H,26,28,34);3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,26,32)
• InChIKey: ATYMLFNLAALKFQ-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 602.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 51
• Rotatable Bonds: 27
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2562.70
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide (CID 157229689) is N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4ccc(F)cc4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccc(F)c4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(Cc4cc(F)cc(F)c4)CC3)cn2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cn2)n(C)c1=O.

What is the InChIKey of N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide?

The InChIKey is ATYMLFNLAALKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N8O3.2C25H25FN8O4.C25H28N8O3.C23H24N8O4S/c1-31-23-22(24(37)32(2)25(31)38)35(15-29-23)14-21(36)30-20-4-3-19(12-28-20)34-7-5-33(6-8-34)13-16-9-17(26)11-18(27)10-16;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;1-30-22-21(24(37)31(2)25(30)38)34(15-28-22)14-20(35)29-19-7-6-18(13-27-19)32-8-10-33(11-9-32)23(36)16-4-3-5-17(26)12-16;1-29-23-22(24(35)30(2)25(29)36)33(17-27-23)16-21(34)28-20-9-8-19(14-26-20)32-12-10-31(11-13-32)15-18-6-4-3-5-7-18;1-27-20-19(22(34)28(2)23(27)35)31(14-25-20)13-18(32)26-17-6-5-15(12-24-17)29-7-9-30(10-8-29)21(33)16-4-3-11-36-16/h3-4,9-12,15H,5-8,13-14H2,1-2H3,(H,28,30,36);3-8,13,15H,9-12,14H2,1-2H3,(H,27,29,35);3-7,12-13,15H,8-11,14H2,1-2H3,(H,27,29,35);3-9,14,17H,10-13,15-16H2,1-2H3,(H,26,28,34);3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,26,32).

What are the key properties of N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide?

N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide has a molecular weight of 2562.70 g/mol, XLogP of 3.49, 27 rotatable bonds, 5 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-pyridinyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[5-[4-(thiophene-2-carbonyl)piperazin-1-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 157229689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).