[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C57H72Cl3N21O7 — CID 167538804

About [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167538804) has the molecular formula C57H72Cl3N21O7 and a molecular weight of 1269.70 g/mol. Its IUPAC name is [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167538804
• Molecular Formula: C57H72Cl3N21O7
• Molecular Weight: 1269.70 g/mol
• Exact Mass: 1267.50
• IUPAC Name: [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-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)c4cnn(C)c4n3)c2)cc(C)c1C.Cn1ncc2c(Cl)nc(Cl)nc21.Cn1ncc2c(N3CCC[C@H]3CO)nc(Cl)nc21.OC[C@@H]1CCCN1
• InChI: InChI=1S/C23H28N8O2.C12H15N3O3.C11H14ClN5O.C6H4Cl2N4.C5H11NO/c1-14-8-17(9-19(33-4)15(14)2)30-11-20(24-13-30)26-23-27-21-18(10-25-29(21)3)22(28-23)31-7-5-6-16(31)12-32;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-16-9-8(5-13-16)10(15-11(12)14-9)17-4-2-3-7(17)6-18;1-12-5-3(2-9-12)4(7)10-6(8)11-5;7-4-5-2-1-3-6-5/h8-11,13,16,32H,5-7,12H2,1-4H3,(H,26,27,28);4-7H,13H2,1-3H3;5,7,18H,2-4,6H2,1H3;2H,1H3;5-7H,1-4H2/t16-;;7-;;5-/m0.0.0/s1
• InChIKey: AWZHWQVQJFYGSR-FGFUXEOCSA-N
• XLogP: 6.74
• TPSA: 320.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1269.70
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167538804) is [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-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)c4cnn(C)c4n3)c2)cc(C)c1C.Cn1ncc2c(Cl)nc(Cl)nc21.Cn1ncc2c(N3CCC[C@H]3CO)nc(Cl)nc21.OC[C@@H]1CCCN1.

What is the InChIKey of [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is AWZHWQVQJFYGSR-FGFUXEOCSA-N. The full InChI is InChI=1S/C23H28N8O2.C12H15N3O3.C11H14ClN5O.C6H4Cl2N4.C5H11NO/c1-14-8-17(9-19(33-4)15(14)2)30-11-20(24-13-30)26-23-27-21-18(10-25-29(21)3)22(28-23)31-7-5-6-16(31)12-32;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-16-9-8(5-13-16)10(15-11(12)14-9)17-4-2-3-7(17)6-18;1-12-5-3(2-9-12)4(7)10-6(8)11-5;7-4-5-2-1-3-6-5/h8-11,13,16,32H,5-7,12H2,1-4H3,(H,26,27,28);4-7H,13H2,1-3H3;5,7,18H,2-4,6H2,1H3;2H,1H3;5-7H,1-4H2/t16-;;7-;;5-/m0.0.0/s1.

What are the key properties of [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

[(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1269.70 g/mol, XLogP of 6.74, 13 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-(6-chloro-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methanol;4,6-dichloro-1-methylpyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167538804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).