2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide

C132H134F2N34O18S5 — CID 158471774

About 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide

2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide (PubChem CID 158471774) has the molecular formula C132H134F2N34O18S5 and a molecular weight of 2683.07 g/mol. Its IUPAC name is 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide.

Molecular Properties

• Compound Name: 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide
• PubChem CID: 158471774
• Molecular Formula: C132H134F2N34O18S5
• Molecular Weight: 2683.07 g/mol
• Exact Mass: 2680.92
• IUPAC Name: 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide
• SMILES: CC(C)C(C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C.CCC(C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C(=O)Nc1ccc(-c2nccs2)cc1.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C(=O)Nc1ccc(N2CCN(Cc3cc(F)cc(F)c3)CC2)cn1.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)Nc1ccc(-c2ccsc2)cc1.Cn1c(=O)c2c(nc(C3CC3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O
• InChI: InChI=1S/C27H30F2N8O3.C22H21N5O3S.C22H23N5O3S.C21H21N5O3S.C20H20N6O3S.C20H19N5O3S/c1-16(37-17(2)31-24-23(37)26(39)34(4)27(40)33(24)3)25(38)32-22-6-5-21(14-30-22)36-9-7-35(8-10-36)15-18-11-19(28)13-20(29)12-18;1-25-20-18(21(29)26(2)22(25)30)27(19(24-20)14-3-4-14)11-17(28)23-16-7-5-13(6-8-16)15-9-10-31-12-15;1-13(2)17(27-12-23-19-18(27)21(29)26(4)22(30)25(19)3)20(28)24-16-7-5-14(6-8-16)15-9-10-31-11-15;1-4-16(26-12-22-18-17(26)20(28)25(3)21(29)24(18)2)19(27)23-15-7-5-13(6-8-15)14-9-10-30-11-14;1-11(17(27)23-14-7-5-13(6-8-14)18-21-9-10-30-18)26-12(2)22-16-15(26)19(28)25(4)20(29)24(16)3;1-12-21-18-17(19(27)24(3)20(28)23(18)2)25(12)10-16(26)22-15-6-4-13(5-7-15)14-8-9-29-11-14/h5-6,11-14,16H,7-10,15H2,1-4H3,(H,30,32,38);5-10,12,14H,3-4,11H2,1-2H3,(H,23,28);5-13,17H,1-4H3,(H,24,28);5-12,16H,4H2,1-3H3,(H,23,27);5-11H,1-4H3,(H,23,27);4-9,11H,10H2,1-3H3,(H,22,26)
• InChIKey: HGKWQGARULAZSS-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 577.78 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 51
• Rotatable Bonds: 29
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2683.07
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide?

The IUPAC name of 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide (CID 158471774) is 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide.

What is the SMILES notation for 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide?

The canonical SMILES for 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide is CC(C)C(C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C.CCC(C(=O)Nc1ccc(-c2ccsc2)cc1)n1cnc2c1c(=O)n(C)c(=O)n2C.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C(=O)Nc1ccc(-c2nccs2)cc1.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1C(C)C(=O)Nc1ccc(N2CCN(Cc3cc(F)cc(F)c3)CC2)cn1.Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)Nc1ccc(-c2ccsc2)cc1.Cn1c(=O)c2c(nc(C3CC3)n2CC(=O)Nc2ccc(-c3ccsc3)cc2)n(C)c1=O.

What is the InChIKey of 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide?

The InChIKey is HGKWQGARULAZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N8O3.C22H21N5O3S.C22H23N5O3S.C21H21N5O3S.C20H20N6O3S.C20H19N5O3S/c1-16(37-17(2)31-24-23(37)26(39)34(4)27(40)33(24)3)25(38)32-22-6-5-21(14-30-22)36-9-7-35(8-10-36)15-18-11-19(28)13-20(29)12-18;1-25-20-18(21(29)26(2)22(25)30)27(19(24-20)14-3-4-14)11-17(28)23-16-7-5-13(6-8-16)15-9-10-31-12-15;1-13(2)17(27-12-23-19-18(27)21(29)26(4)22(30)25(19)3)20(28)24-16-7-5-14(6-8-16)15-9-10-31-11-15;1-4-16(26-12-22-18-17(26)20(28)25(3)21(29)24(18)2)19(27)23-15-7-5-13(6-8-15)14-9-10-30-11-14;1-11(17(27)23-14-7-5-13(6-8-14)18-21-9-10-30-18)26-12(2)22-16-15(26)19(28)25(4)20(29)24(16)3;1-12-21-18-17(19(27)24(3)20(28)23(18)2)25(12)10-16(26)22-15-6-4-13(5-7-15)14-8-9-29-11-14/h5-6,11-14,16H,7-10,15H2,1-4H3,(H,30,32,38);5-10,12,14H,3-4,11H2,1-2H3,(H,23,28);5-13,17H,1-4H3,(H,24,28);5-12,16H,4H2,1-3H3,(H,23,27);5-11H,1-4H3,(H,23,27);4-9,11H,10H2,1-3H3,(H,22,26).

What are the key properties of 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide?

2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide has a molecular weight of 2683.07 g/mol, XLogP of 14.54, 29 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)acetamide;N-[5-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-2-pyridinyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-methyl-N-(4-thiophen-3-ylphenyl)butanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-thiophen-3-ylphenyl)butanamide;N-[4-(1,3-thiazol-2-yl)phenyl]-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)propanamide;N-(4-thiophen-3-ylphenyl)-2-(1,3,8-trimethyl-2,6-dioxopurin-7-yl)acetamide is sourced from PubChem (CID 158471774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).