deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane

C45H70F3N11O11S2Si2 — CID 159780392

About deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane

deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane (PubChem CID 159780392) has the molecular formula C45H70F3N11O11S2Si2 and a molecular weight of 1119.43 g/mol. Its IUPAC name is deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane
• PubChem CID: 159780392
• Molecular Formula: C45H70F3N11O11S2Si2
• Molecular Weight: 1119.43 g/mol
• Exact Mass: 1118.43
• IUPAC Name: deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane
• SMILES: C.C[Si](C)(C)CCOCn1nc(C(=O)NCc2cc(F)ccc2F)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.[2H]CF
• InChI: InChI=1S/C25H34F2N6O5SSi.C18H29N5O6SSi.CH3F.CH4/c1-39(36,37)17-10-19(20(34)11-17)31-23-21-22(25(35)28-12-15-9-16(26)5-6-18(15)27)32-33(24(21)30-13-29-23)14-38-7-8-40(2,3)4;1-30(27,28)11-7-12(13(24)8-11)21-16-14-15(18(25)26)22-23(17(14)20-9-19-16)10-29-5-6-31(2,3)4;1-2;/h5-6,9,13,17,19-20,34H,7-8,10-12,14H2,1-4H3,(H,28,35)(H,29,30,31);9,11-13,24H,5-8,10H2,1-4H3,(H,25,26)(H,19,20,21);1H3;1H4/t17-,19?,20-;11-,12?,13-;;/m11../s1/i;;1D
• InChIKey: NHHAAQQEPTUGGX-KOUBXSPZSA-N
• XLogP: 5.10
• TPSA: 304.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1119.43
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane?

The IUPAC name of deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane (CID 159780392) is deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane.

What is the SMILES notation for deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane?

The canonical SMILES for deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane is C.C[Si](C)(C)CCOCn1nc(C(=O)NCc2cc(F)ccc2F)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.[2H]CF.

What is the InChIKey of deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane?

The InChIKey is NHHAAQQEPTUGGX-KOUBXSPZSA-N. The full InChI is InChI=1S/C25H34F2N6O5SSi.C18H29N5O6SSi.CH3F.CH4/c1-39(36,37)17-10-19(20(34)11-17)31-23-21-22(25(35)28-12-15-9-16(26)5-6-18(15)27)32-33(24(21)30-13-29-23)14-38-7-8-40(2,3)4;1-30(27,28)11-7-12(13(24)8-11)21-16-14-15(18(25)26)22-23(17(14)20-9-19-16)10-29-5-6-31(2,3)4;1-2;/h5-6,9,13,17,19-20,34H,7-8,10-12,14H2,1-4H3,(H,28,35)(H,29,30,31);9,11-13,24H,5-8,10H2,1-4H3,(H,25,26)(H,19,20,21);1H3;1H4/t17-,19?,20-;11-,12?,13-;;/m11../s1/i;;1D;.

What are the key properties of deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane?

deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane has a molecular weight of 1119.43 g/mol, XLogP of 5.10, 20 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methane is sourced from PubChem (CID 159780392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).