[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid

C134H167ClF15N27O22Si3 — CID 158826650

About [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid

[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid (PubChem CID 158826650) has the molecular formula C134H167ClF15N27O22Si3 and a molecular weight of 2912.66 g/mol. Its IUPAC name is [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
• PubChem CID: 158826650
• Molecular Formula: C134H167ClF15N27O22Si3
• Molecular Weight: 2912.66 g/mol
• Exact Mass: 2910.15
• IUPAC Name: [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
• SMILES: C.C1CCOC1.CC(C)(O)[C@H]1C[C@@H](O)[C@H](Nc2ncnc3c2C(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)=NC3)C1.COC(=O)[C@@H]1C[C@@H](N)[C@H](O)C1.COC(=O)[C@H]1C[C@@H](O)[C@H](Nc2ncnc3c2C(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)=NC3)C1.COC(=O)[C@H]1C[C@@H](O)[C@H](Nc2ncnc3c2c(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)nn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCn1nc(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(=O)[nH]cnc21.Fc1ccc(F)c([C@H]2C[C@H](F)CN2)c1
• InChI: InChI=1S/C29H37F3N6O5Si.C25H28F3N5O3.C24H24F3N5O4.C22H25ClF3N5O2Si.C12H18N4O4Si.C10H10F3N.C7H13NO3.C4H8O.CH4/c1-42-29(41)16-9-21(23(39)10-16)35-26-24-25(36-38(27(24)34-14-33-26)15-43-7-8-44(2,3)4)28(40)37-13-18(31)12-22(37)19-11-17(30)5-6-20(19)32;1-25(2,36)12-5-17(20(34)6-12)32-23-21-18(30-11-31-23)9-29-22(21)24(35)33-10-14(27)8-19(33)15-7-13(26)3-4-16(15)28;1-36-24(35)11-4-16(19(33)5-11)31-22-20-17(29-10-30-22)8-28-21(20)23(34)32-9-13(26)7-18(32)14-6-12(25)2-3-15(14)27;1-34(2,3)7-6-33-12-31-21-18(20(23)27-11-28-21)19(29-31)22(32)30-10-14(25)9-17(30)15-8-13(24)4-5-16(15)26;1-21(2,3)5-4-20-7-16-10-8(9(15-16)12(18)19)11(17)14-6-13-10;11-6-1-2-9(13)8(3-6)10-4-7(12)5-14-10;1-11-7(10)4-2-5(8)6(9)3-4;1-2-4-5-3-1;/h5-6,11,14,16,18,21-23,39H,7-10,12-13,15H2,1-4H3,(H,33,34,35);3-4,7,11-12,14,17,19-20,34,36H,5-6,8-10H2,1-2H3,(H,30,31,32);2-3,6,10-11,13,16,18-19,33H,4-5,7-9H2,1H3,(H,29,30,31);4-5,8,11,14,17H,6-7,9-10,12H2,1-3H3;6H,4-5,7H2,1-3H3,(H,18,19)(H,13,14,17);1-3,7,10,14H,4-5H2;4-6,9H,2-3,8H2,1H3;1-4H2;1H4/t16-,18+,21-,22-,23-;12-,14+,17-,19-,20-;11-,13+,16-,18-,19-;14-,17+;;7-,10+;4-,5-,6-;;/m1110.01../s1
• InChIKey: IWNPMBPUKYHAFR-PGKBHPCPSA-N
• XLogP: 18.00
• TPSA: 636.70 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2912.66
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid?

The IUPAC name of [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid (CID 158826650) is [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid.

What is the SMILES notation for [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid?

The canonical SMILES for [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid is C.C1CCOC1.CC(C)(O)[C@H]1C[C@@H](O)[C@H](Nc2ncnc3c2C(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)=NC3)C1.COC(=O)[C@@H]1C[C@@H](N)[C@H](O)C1.COC(=O)[C@H]1C[C@@H](O)[C@H](Nc2ncnc3c2C(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)=NC3)C1.COC(=O)[C@H]1C[C@@H](O)[C@H](Nc2ncnc3c2c(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)nn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCn1nc(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(=O)[nH]cnc21.Fc1ccc(F)c([C@H]2C[C@H](F)CN2)c1.

What is the InChIKey of [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid?

The InChIKey is IWNPMBPUKYHAFR-PGKBHPCPSA-N. The full InChI is InChI=1S/C29H37F3N6O5Si.C25H28F3N5O3.C24H24F3N5O4.C22H25ClF3N5O2Si.C12H18N4O4Si.C10H10F3N.C7H13NO3.C4H8O.CH4/c1-42-29(41)16-9-21(23(39)10-16)35-26-24-25(36-38(27(24)34-14-33-26)15-43-7-8-44(2,3)4)28(40)37-13-18(31)12-22(37)19-11-17(30)5-6-20(19)32;1-25(2,36)12-5-17(20(34)6-12)32-23-21-18(30-11-31-23)9-29-22(21)24(35)33-10-14(27)8-19(33)15-7-13(26)3-4-16(15)28;1-36-24(35)11-4-16(19(33)5-11)31-22-20-17(29-10-30-22)8-28-21(20)23(34)32-9-13(26)7-18(32)14-6-12(25)2-3-15(14)27;1-34(2,3)7-6-33-12-31-21-18(20(23)27-11-28-21)19(29-31)22(32)30-10-14(25)9-17(30)15-8-13(24)4-5-16(15)26;1-21(2,3)5-4-20-7-16-10-8(9(15-16)12(18)19)11(17)14-6-13-10;11-6-1-2-9(13)8(3-6)10-4-7(12)5-14-10;1-11-7(10)4-2-5(8)6(9)3-4;1-2-4-5-3-1;/h5-6,11,14,16,18,21-23,39H,7-10,12-13,15H2,1-4H3,(H,33,34,35);3-4,7,11-12,14,17,19-20,34,36H,5-6,8-10H2,1-2H3,(H,30,31,32);2-3,6,10-11,13,16,18-19,33H,4-5,7-9H2,1H3,(H,29,30,31);4-5,8,11,14,17H,6-7,9-10,12H2,1-3H3;6H,4-5,7H2,1-3H3,(H,18,19)(H,13,14,17);1-3,7,10,14H,4-5H2;4-6,9H,2-3,8H2,1H3;1-4H2;1H4/t16-,18+,21-,22-,23-;12-,14+,17-,19-,20-;11-,13+,16-,18-,19-;14-,17+;;7-,10+;4-,5-,6-;;/m1110.01../s1.

What are the key properties of [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid?

[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 2912.66 g/mol, XLogP of 18.00, 35 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-d]pyrimidin-3-yl]-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]methanone;(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R,4R)-2-hydroxy-4-(2-hydroxypropan-2-yl)cyclopentyl]amino]-7H-pyrrolo[3,4-d]pyrimidin-5-yl]methanone;methane;methyl (1R,3R,4R)-3-amino-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-7H-pyrrolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;methyl (1R,3R,4R)-3-[[3-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine-1-carbonyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-hydroxycyclopentane-1-carboxylate;oxolane;4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 158826650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).