5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid

C50H52BCl7N18O6 — CID 159362154

About 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid

5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid (PubChem CID 159362154) has the molecular formula C50H52BCl7N18O6 and a molecular weight of 1260.07 g/mol. Its IUPAC name is 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid.

Molecular Properties

• Compound Name: 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid
• PubChem CID: 159362154
• Molecular Formula: C50H52BCl7N18O6
• Molecular Weight: 1260.07 g/mol
• Exact Mass: 1256.22
• IUPAC Name: 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid
• SMILES: CB(O)O.COc1nc(C)nc2c1CN=C2.COc1nc(Cl)nc2cnn(C)c12.COc1nc(NCc2ccc(Cl)c(Cl)c2)nc2cnn(C)c12.Cn1ncc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21.NCc1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C14H13Cl2N5O.C13H11Cl2N5O.C8H9N3O.C7H7Cl2N.C7H7ClN4O.CH5BO2/c1-21-12-11(7-18-21)19-14(20-13(12)22-2)17-6-8-3-4-9(15)10(16)5-8;1-20-11-10(6-17-20)18-13(19-12(11)21)16-5-7-2-3-8(14)9(15)4-7;1-5-10-7-4-9-3-6(7)8(11-5)12-2;8-6-2-1-5(4-10)3-7(6)9;1-12-5-4(3-9-12)10-7(8)11-6(5)13-2;1-2(3)4/h3-5,7H,6H2,1-2H3,(H,17,19,20);2-4,6H,5H2,1H3,(H2,16,18,19,21);4H,3H2,1-2H3;1-3H,4,10H2;3H,1-2H3;3-4H,1H3
• InChIKey: LIRBSOGBBMXMKX-UHFFFAOYSA-N
• XLogP: 9.16
• TPSA: 307.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1260.07
LogP ≤ 5	9.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid?

The IUPAC name of 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid (CID 159362154) is 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid.

What is the SMILES notation for 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid?

The canonical SMILES for 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid is CB(O)O.COc1nc(C)nc2c1CN=C2.COc1nc(Cl)nc2cnn(C)c12.COc1nc(NCc2ccc(Cl)c(Cl)c2)nc2cnn(C)c12.Cn1ncc2nc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21.NCc1ccc(Cl)c(Cl)c1.

What is the InChIKey of 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid?

The InChIKey is LIRBSOGBBMXMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O.C13H11Cl2N5O.C8H9N3O.C7H7Cl2N.C7H7ClN4O.CH5BO2/c1-21-12-11(7-18-21)19-14(20-13(12)22-2)17-6-8-3-4-9(15)10(16)5-8;1-20-11-10(6-17-20)18-13(19-12(11)21)16-5-7-2-3-8(14)9(15)4-7;1-5-10-7-4-9-3-6(7)8(11-5)12-2;8-6-2-1-5(4-10)3-7(6)9;1-12-5-4(3-9-12)10-7(8)11-6(5)13-2;1-2(3)4/h3-5,7H,6H2,1-2H3,(H,17,19,20);2-4,6H,5H2,1H3,(H2,16,18,19,21);4H,3H2,1-2H3;1-3H,4,10H2;3H,1-2H3;3-4H,1H3.

What are the key properties of 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid?

5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid has a molecular weight of 1260.07 g/mol, XLogP of 9.16, 10 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidine;(3,4-dichlorophenyl)methanamine;5-[(3,4-dichlorophenyl)methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one;N-[(3,4-dichlorophenyl)methyl]-7-methoxy-1-methylpyrazolo[4,5-d]pyrimidin-5-amine;4-methoxy-2-methyl-5H-pyrrolo[3,4-d]pyrimidine;methylboronic acid is sourced from PubChem (CID 159362154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).