N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

C115H128ClN37O20S — CID 159000926

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 159000926) has the molecular formula C115H128ClN37O20S and a molecular weight of 2416.05 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

• Compound Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
• PubChem CID: 159000926
• Molecular Formula: C115H128ClN37O20S
• Molecular Weight: 2416.05 g/mol
• Exact Mass: 2413.95
• IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
• SMILES: CN(Cc1ccccc1N1CCOCC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(C(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2cccs2)cc1.Cc1cnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1.Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C(=O)NC2CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccnn2C2CCCC2)n(C)c1=O
• InChI: InChI=1S/C22H25N7O3.C21H26N6O4.C21H21N5O3S.C19H20N6O4.C17H21N7O3.C15H15ClN6O3/c1-14-17(15(2)29(25-14)11-16-8-6-5-7-9-16)10-23-18(30)12-28-13-24-20-19(28)21(31)27(4)22(32)26(20)3;1-23(12-15-6-4-5-7-16(15)26-8-10-31-11-9-26)17(28)13-27-14-22-19-18(27)20(29)25(3)21(30)24(19)2;1-13-6-8-14(9-7-13)17(15-5-4-10-30-15)23-16(27)11-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-23-16-15(18(28)24(2)19(23)29)25(10-20-16)9-14(26)22-13-6-4-3-5-12(13)17(27)21-11-7-8-11;1-21-15-14(16(26)22(2)17(21)27)23(10-18-15)9-13(25)20-12-7-8-19-24(12)11-5-3-4-6-11;1-8-4-9(16)12(17-5-8)19-10(23)6-22-7-18-13-11(22)14(24)21(3)15(25)20(13)2/h5-9,13H,10-12H2,1-4H3,(H,23,30);4-7,14H,8-13H2,1-3H3;4-10,12,17H,11H2,1-3H3,(H,23,27);3-6,10-11H,7-9H2,1-2H3,(H,21,27)(H,22,26);7-8,10-11H,3-6,9H2,1-2H3,(H,20,25);4-5,7H,6H2,1-3H3,(H,17,19,23)
• InChIKey: JRICBSSIARRORG-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 626.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 51
• Rotatable Bonds: 28
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2416.05
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?

The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (CID 159000926) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?

The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is CN(Cc1ccccc1N1CCOCC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(C(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c2cccs2)cc1.Cc1cnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(Cl)c1.Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2C(=O)NC2CC2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Nc2ccnn2C2CCCC2)n(C)c1=O.

What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?

The InChIKey is JRICBSSIARRORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3.C21H26N6O4.C21H21N5O3S.C19H20N6O4.C17H21N7O3.C15H15ClN6O3/c1-14-17(15(2)29(25-14)11-16-8-6-5-7-9-16)10-23-18(30)12-28-13-24-20-19(28)21(31)27(4)22(32)26(20)3;1-23(12-15-6-4-5-7-16(15)26-8-10-31-11-9-26)17(28)13-27-14-22-19-18(27)20(29)25(3)21(30)24(19)2;1-13-6-8-14(9-7-13)17(15-5-4-10-30-15)23-16(27)11-26-12-22-19-18(26)20(28)25(3)21(29)24(19)2;1-23-16-15(18(28)24(2)19(23)29)25(10-20-16)9-14(26)22-13-6-4-3-5-12(13)17(27)21-11-7-8-11;1-21-15-14(16(26)22(2)17(21)27)23(10-18-15)9-13(25)20-12-7-8-19-24(12)11-5-3-4-6-11;1-8-4-9(16)12(17-5-8)19-10(23)6-22-7-18-13-11(22)14(24)21(3)15(25)20(13)2/h5-9,13H,10-12H2,1-4H3,(H,23,30);4-7,14H,8-13H2,1-3H3;4-10,12,17H,11H2,1-3H3,(H,23,27);3-6,10-11H,7-9H2,1-2H3,(H,21,27)(H,22,26);7-8,10-11H,3-6,9H2,1-2H3,(H,20,25);4-5,7H,6H2,1-3H3,(H,17,19,23).

What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 2416.05 g/mol, XLogP of 3.03, 28 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(3-chloro-5-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylpyrazol-3-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-cyclopropyl-2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 159000926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).