2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide

C63H78ClF6N13O10Si2 — CID 159411883

About 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide

2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide (PubChem CID 159411883) has the molecular formula C63H78ClF6N13O10Si2 and a molecular weight of 1383.01 g/mol. Its IUPAC name is 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
• PubChem CID: 159411883
• Molecular Formula: C63H78ClF6N13O10Si2
• Molecular Weight: 1383.01 g/mol
• Exact Mass: 1381.51
• IUPAC Name: 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide
• SMILES: CC(Cl)C(=O)Nc1cccc(-c2ccc(C(F)(F)F)nc2)n1.CCC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(CO[Si](C)(C)C(C)(C)C)C2.CCC(=O)Cn1c(=O)c2c(nc(CO[Si](C)(C)C(C)(C)C)n2C(C)C(=O)Nc2cccc(-c3ccc(C(F)(F)F)nc3)n2)n(C)c1=O
• InChI: InChI=1S/C31H38F3N7O5Si.C18H29N3O4Si.C14H11ClF3N3O/c1-9-20(42)16-40-28(44)25-26(39(6)29(40)45)38-24(17-46-47(7,8)30(3,4)5)41(25)18(2)27(43)37-23-12-10-11-21(36-23)19-13-14-22(35-15-19)31(32,33)34;1-8-13(22)10-21-16(23)14-9-12(19-15(14)20(5)17(21)24)11-25-26(6,7)18(2,3)4;1-8(15)13(22)21-12-4-2-3-10(20-12)9-5-6-11(19-7-9)14(16,17)18/h10-15,18H,9,16-17H2,1-8H3,(H,36,37,43);8-11H2,1-7H3;2-8H,1H3,(H,20,21,22)
• InChIKey: LORHZMQQDYDNRA-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 280.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.01
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide?

The IUPAC name of 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide (CID 159411883) is 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide.

What is the SMILES notation for 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide?

The canonical SMILES for 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide is CC(Cl)C(=O)Nc1cccc(-c2ccc(C(F)(F)F)nc2)n1.CCC(=O)Cn1c(=O)c2c(n(C)c1=O)N=C(CO[Si](C)(C)C(C)(C)C)C2.CCC(=O)Cn1c(=O)c2c(nc(CO[Si](C)(C)C(C)(C)C)n2C(C)C(=O)Nc2cccc(-c3ccc(C(F)(F)F)nc3)n2)n(C)c1=O.

What is the InChIKey of 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide?

The InChIKey is LORHZMQQDYDNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F3N7O5Si.C18H29N3O4Si.C14H11ClF3N3O/c1-9-20(42)16-40-28(44)25-26(39(6)29(40)45)38-24(17-46-47(7,8)30(3,4)5)41(25)18(2)27(43)37-23-12-10-11-21(36-23)19-13-14-22(35-15-19)31(32,33)34;1-8-13(22)10-21-16(23)14-9-12(19-15(14)20(5)17(21)24)11-25-26(6,7)18(2,3)4;1-8(15)13(22)21-12-4-2-3-10(20-12)9-5-6-11(19-7-9)14(16,17)18/h10-15,18H,9,16-17H2,1-8H3,(H,36,37,43);8-11H2,1-7H3;2-8H,1H3,(H,20,21,22).

What are the key properties of 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide?

2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide has a molecular weight of 1383.01 g/mol, XLogP of 10.98, 19 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide;6-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3-(2-oxobutyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;2-chloro-N-[6-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 159411883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).