6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C67H80Cl3N25O11 — CID 167533799

About 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167533799) has the molecular formula C67H80Cl3N25O11 and a molecular weight of 1517.90 g/mol. Its IUPAC name is 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167533799
• Molecular Formula: C67H80Cl3N25O11
• Molecular Weight: 1517.90 g/mol
• Exact Mass: 1515.55
• IUPAC Name: 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3c(C)nn4C)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)nc4c3c(C)nn4C)c2)cc(OC)c1OC.Cc1nn(C)c2nc(Cl)nc(Cl)c12.NC(=O)[C@@H]1CCCN1
• InChI: InChI=1S/C24H29N9O4.C19H20ClN7O3.C12H15N3O3.C7H6Cl2N4.C5H10N2O/c1-13-19-22(28-24(29-23(19)31(2)30-13)33-8-6-7-15(33)21(25)34)27-18-11-32(12-26-18)14-9-16(35-3)20(37-5)17(10-14)36-4;1-10-15-17(23-19(20)24-18(15)26(2)25-10)22-14-8-27(9-21-14)11-6-12(28-3)16(30-5)13(7-11)29-4;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-3-4-5(8)10-7(9)11-6(4)13(2)12-3;6-5(8)4-2-1-3-7-4/h9-12,15H,6-8H2,1-5H3,(H2,25,34)(H,27,28,29);6-9H,1-5H3,(H,22,23,24);4-7H,13H2,1-3H3;1-2H3;4,7H,1-3H2,(H2,6,8)/t15-;;;;4-/m0...0/s1
• InChIKey: AHVQLXDMFGPBCP-YQOXXTCOSA-N
• XLogP: 8.04
• TPSA: 418.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1517.90
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167533799) is 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3c(C)nn4C)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C(N)=O)nc4c3c(C)nn4C)c2)cc(OC)c1OC.Cc1nn(C)c2nc(Cl)nc(Cl)c12.NC(=O)[C@@H]1CCCN1.

What is the InChIKey of 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is AHVQLXDMFGPBCP-YQOXXTCOSA-N. The full InChI is InChI=1S/C24H29N9O4.C19H20ClN7O3.C12H15N3O3.C7H6Cl2N4.C5H10N2O/c1-13-19-22(28-24(29-23(19)31(2)30-13)33-8-6-7-15(33)21(25)34)27-18-11-32(12-26-18)14-9-16(35-3)20(37-5)17(10-14)36-4;1-10-15-17(23-19(20)24-18(15)26(2)25-10)22-14-8-27(9-21-14)11-6-12(28-3)16(30-5)13(7-11)29-4;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-3-4-5(8)10-7(9)11-6(4)13(2)12-3;6-5(8)4-2-1-3-7-4/h9-12,15H,6-8H2,1-5H3,(H2,25,34)(H,27,28,29);6-9H,1-5H3,(H,22,23,24);4-7H,13H2,1-3H3;1-2H3;4,7H,1-3H2,(H2,6,8)/t15-;;;;4-/m0...0/s1.

What are the key properties of 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1517.90 g/mol, XLogP of 8.04, 19 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine;4,6-dichloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine;(2S)-1-[1,3-dimethyl-4-[[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]amino]pyrazolo[3,4-d]pyrimidin-6-yl]pyrrolidine-2-carboxamide;(2S)-pyrrolidine-2-carboxamide;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167533799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).