7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one

C67H51BrClN15O8 — CID 159450412

About 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one

7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159450412) has the molecular formula C67H51BrClN15O8 and a molecular weight of 1318.65 g/mol. Its IUPAC name is 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

• Compound Name: 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
• PubChem CID: 159450412
• Molecular Formula: C67H51BrClN15O8
• Molecular Weight: 1318.65 g/mol
• Exact Mass: 1316.35
• IUPAC Name: 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
• SMILES: COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1
• InChI: InChI=1S/C18H15N3O2.C17H14N4O2.C16H11BrN4O2.C16H11ClN4O2/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-10-3-5-12-14(7-10)18-9-13-16(12)20-21(17(13)22)11-4-6-15(23-2)19-8-11;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h3-10,20H,1-2H3;3-9,20H,1-2H3;2*2-8,20H,1H3/i2D3;;2*1D3
• InChIKey: WKCXLPMFPQVUHG-OMODHGOUSA-N
• XLogP: 11.72
• TPSA: 278.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1318.65
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one?

The IUPAC name of 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one (CID 159450412) is 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one.

What is the SMILES notation for 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one?

The canonical SMILES for 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(Br)ccc43)c2=O)cn1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4cc(C)ccc43)c2=O)cc1.[2H]C([2H])([2H])Oc1ccc(-n2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cn1.

What is the InChIKey of 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one?

The InChIKey is WKCXLPMFPQVUHG-OMODHGOUSA-N. The full InChI is InChI=1S/C18H15N3O2.C17H14N4O2.C16H11BrN4O2.C16H11ClN4O2/c1-11-3-8-14-16(9-11)19-10-15-17(14)20-21(18(15)22)12-4-6-13(23-2)7-5-12;1-10-3-5-12-14(7-10)18-9-13-16(12)20-21(17(13)22)11-4-6-15(23-2)19-8-11;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-6-9(17)2-4-11(13)15(12)20-21;1-23-14-5-3-10(7-19-14)21-16(22)12-8-18-13-4-2-9(17)6-11(13)15(12)20-21/h3-10,20H,1-2H3;3-9,20H,1-2H3;2*2-8,20H,1H3/i2D3;;2*1D3.

What are the key properties of 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one?

7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 1318.65 g/mol, XLogP of 11.72, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 159450412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).