(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride

C99H134Cl2F9N19O13Si3 — CID 164955801

About (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride

(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride (PubChem CID 164955801) has the molecular formula C99H134Cl2F9N19O13Si3 and a molecular weight of 2124.43 g/mol. Its IUPAC name is (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride
• PubChem CID: 164955801
• Molecular Formula: C99H134Cl2F9N19O13Si3
• Molecular Weight: 2124.43 g/mol
• Exact Mass: 2121.89
• IUPAC Name: (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride
• SMILES: C.COC(=O)c1nn(COCC[Si](C)(C)C)c2nccc(Cl)c12.COC(=O)c1nn(COCC[Si](C)(C)C)c2nccc(N[C@@H]3CCC[C@H]3O)c12.C[Si](C)(C)CCOCn1nc(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2c(N[C@@H]3CCC[C@H]3O)ccnc21.Cl.Fc1ccc(F)c([C@H]2C[C@H](F)CN2)c1.N[C@@H]1CCC[C@H]1O.O=C(c1[nH]nc2nccc(N[C@@H]3CCC[C@H]3O)c12)N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F
• InChI: InChI=1S/C28H36F3N5O3Si.C22H22F3N5O2.C19H30N4O4Si.C14H20ClN3O3Si.C10H10F3N.C5H11NO.CH4.ClH/c1-40(2,3)12-11-39-16-36-27-25(22(9-10-32-27)33-21-5-4-6-24(21)37)26(34-36)28(38)35-15-18(30)14-23(35)19-13-17(29)7-8-20(19)31;23-11-4-5-14(25)13(8-11)17-9-12(24)10-30(17)22(32)20-19-16(6-7-26-21(19)29-28-20)27-15-2-1-3-18(15)31;1-26-19(25)17-16-14(21-13-6-5-7-15(13)24)8-9-20-18(16)23(22-17)12-27-10-11-28(2,3)4;1-20-14(19)12-11-10(15)5-6-16-13(11)18(17-12)9-21-7-8-22(2,3)4;11-6-1-2-9(13)8(3-6)10-4-7(12)5-14-10;6-4-2-1-3-5(4)7;;/h7-10,13,18,21,23-24,37H,4-6,11-12,14-16H2,1-3H3,(H,32,33);4-8,12,15,17-18,31H,1-3,9-10H2,(H2,26,27,28,29);8-9,13,15,24H,5-7,10-12H2,1-4H3,(H,20,21);5-6H,7-9H2,1-4H3;1-3,7,10,14H,4-5H2;4-5,7H,1-3,6H2;1H4;1H/t18-,21+,23+,24+;12-,15+,17+,18+;13-,15-;;7-,10+;4-,5-;;/m001.01../s1
• InChIKey: LNZCKKWOKVECNI-CRNRVNQTSA-N
• XLogP: 18.05
• TPSA: 409.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2124.43
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

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 (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride?

The IUPAC name of (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride (CID 164955801) is (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride.

What is the SMILES notation for (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride?

The canonical SMILES for (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride is C.COC(=O)c1nn(COCC[Si](C)(C)C)c2nccc(Cl)c12.COC(=O)c1nn(COCC[Si](C)(C)C)c2nccc(N[C@@H]3CCC[C@H]3O)c12.C[Si](C)(C)CCOCn1nc(C(=O)N2C[C@@H](F)C[C@@H]2c2cc(F)ccc2F)c2c(N[C@@H]3CCC[C@H]3O)ccnc21.Cl.Fc1ccc(F)c([C@H]2C[C@H](F)CN2)c1.N[C@@H]1CCC[C@H]1O.O=C(c1[nH]nc2nccc(N[C@@H]3CCC[C@H]3O)c12)N1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F.

What is the InChIKey of (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride?

The InChIKey is LNZCKKWOKVECNI-CRNRVNQTSA-N. The full InChI is InChI=1S/C28H36F3N5O3Si.C22H22F3N5O2.C19H30N4O4Si.C14H20ClN3O3Si.C10H10F3N.C5H11NO.CH4.ClH/c1-40(2,3)12-11-39-16-36-27-25(22(9-10-32-27)33-21-5-4-6-24(21)37)26(34-36)28(38)35-15-18(30)14-23(35)19-13-17(29)7-8-20(19)31;23-11-4-5-14(25)13(8-11)17-9-12(24)10-30(17)22(32)20-19-16(6-7-26-21(19)29-28-20)27-15-2-1-3-18(15)31;1-26-19(25)17-16-14(21-13-6-5-7-15(13)24)8-9-20-18(16)23(22-17)12-27-10-11-28(2,3)4;1-20-14(19)12-11-10(15)5-6-16-13(11)18(17-12)9-21-7-8-22(2,3)4;11-6-1-2-9(13)8(3-6)10-4-7(12)5-14-10;6-4-2-1-3-5(4)7;;/h7-10,13,18,21,23-24,37H,4-6,11-12,14-16H2,1-3H3,(H,32,33);4-8,12,15,17-18,31H,1-3,9-10H2,(H2,26,27,28,29);8-9,13,15,24H,5-7,10-12H2,1-4H3,(H,20,21);5-6H,7-9H2,1-4H3;1-3,7,10,14H,4-5H2;4-5,7H,1-3,6H2;1H4;1H/t18-,21+,23+,24+;12-,15+,17+,18+;13-,15-;;7-,10+;4-,5-;;/m001.01../s1.

What are the key properties of (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride?

(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride has a molecular weight of 2124.43 g/mol, XLogP of 18.05, 28 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidine;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-yl]methanone;[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-[4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]methanone;methane;methyl 4-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carboxylate;trans-(1R,2R)-2-aminocyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 164955801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).