tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C118H175Cl2N29O10Si3 — CID 167555057

About tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167555057) has the molecular formula C118H175Cl2N29O10Si3 and a molecular weight of 2315.05 g/mol. Its IUPAC name is tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167555057
• Molecular Formula: C118H175Cl2N29O10Si3
• Molecular Weight: 2315.05 g/mol
• Exact Mass: 2312.28
• IUPAC Name: tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4c(C)nn(C5CCCC5)c4n3)c2)cc(C)c1C.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CCCC5)c4n3)c2)cc(C)c1C.Cc1[nH]nc2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.Cc1nn(C2CCCC2)c2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.OC1CCCC1
• InChI: InChI=1S/C34H50N8O2Si.C28H36N8O2.C22H36ClN5OSi.C17H28ClN5OSi.C12H15N3O3.C5H10O/c1-22-17-27(18-28(43-7)23(22)2)40-19-29(35-21-40)36-33-37-31(30-24(3)39-42(32(30)38-33)25-13-10-11-14-25)41-16-12-15-26(41)20-44-45(8,9)34(4,5)6;1-17-12-22(13-23(38-4)18(17)2)34-14-24(29-16-34)30-28-31-26(35-11-7-10-21(35)15-37)25-19(3)33-36(27(25)32-28)20-8-5-6-9-20;1-15-18-19(24-21(23)25-20(18)28(26-15)16-10-7-8-11-16)27-13-9-12-17(27)14-29-30(5,6)22(2,3)4;1-11-13-14(22-21-11)19-16(18)20-15(13)23-9-7-8-12(23)10-24-25(5,6)17(2,3)4;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;6-5-3-1-2-4-5/h17-19,21,25-26H,10-16,20H2,1-9H3,(H,36,37,38);12-14,16,20-21,37H,5-11,15H2,1-4H3,(H,30,31,32);16-17H,7-14H2,1-6H3;12H,7-10H2,1-6H3,(H,19,20,21,22);4-7H,13H2,1-3H3;5-6H,1-4H2/t26-;21-;17-;12-;;/m0000../s1
• InChIKey: CXCSYGHADZAKPT-PIZBBXHVSA-N
• XLogP: 25.16
• TPSA: 416.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 29
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2315.05
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167555057) is tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4c(C)nn(C5CCCC5)c4n3)c2)cc(C)c1C.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CCCC5)c4n3)c2)cc(C)c1C.Cc1[nH]nc2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.Cc1nn(C2CCCC2)c2nc(Cl)nc(N3CCC[C@H]3CO[Si](C)(C)C(C)(C)C)c12.OC1CCCC1.

What is the InChIKey of tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is CXCSYGHADZAKPT-PIZBBXHVSA-N. The full InChI is InChI=1S/C34H50N8O2Si.C28H36N8O2.C22H36ClN5OSi.C17H28ClN5OSi.C12H15N3O3.C5H10O/c1-22-17-27(18-28(43-7)23(22)2)40-19-29(35-21-40)36-33-37-31(30-24(3)39-42(32(30)38-33)25-13-10-11-14-25)41-16-12-15-26(41)20-44-45(8,9)34(4,5)6;1-17-12-22(13-23(38-4)18(17)2)34-14-24(29-16-34)30-28-31-26(35-11-7-10-21(35)15-37)25-19(3)33-36(27(25)32-28)20-8-5-6-9-20;1-15-18-19(24-21(23)25-20(18)28(26-15)16-10-7-8-11-16)27-13-9-12-17(27)14-29-30(5,6)22(2,3)4;1-11-13-14(22-21-11)19-16(18)20-15(13)23-9-7-8-12(23)10-24-25(5,6)17(2,3)4;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;6-5-3-1-2-4-5/h17-19,21,25-26H,10-16,20H2,1-9H3,(H,36,37,38);12-14,16,20-21,37H,5-11,15H2,1-4H3,(H,30,31,32);16-17H,7-14H2,1-6H3;12H,7-10H2,1-6H3,(H,19,20,21,22);4-7H,13H2,1-3H3;5-6H,1-4H2/t26-;21-;17-;12-;;/m0000../s1.

What are the key properties of tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 2315.05 g/mol, XLogP of 25.16, 29 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(2S)-1-(6-chloro-1-cyclopentyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;tert-butyl-[[(2S)-1-(6-chloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methoxy]-dimethylsilane;4-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-1-cyclopentyl-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;cyclopentanol;[(2S)-1-[1-cyclopentyl-6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167555057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).