7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one

C83H65BrN20O6 — CID 159987698

About 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one

7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one (PubChem CID 159987698) has the molecular formula C83H65BrN20O6 and a molecular weight of 1518.47 g/mol. Its IUPAC name is 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one.

Molecular Properties

• Compound Name: 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one
• PubChem CID: 159987698
• Molecular Formula: C83H65BrN20O6
• Molecular Weight: 1518.47 g/mol
• Exact Mass: 1516.46
• IUPAC Name: 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one
• SMILES: Cc1ccc(-n2[nH]c3c(cnc4cc(Br)ncc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cnc(C)cc43)c2=O)cc1.Cc1cccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)c1.O=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1ccncc1
• InChI: InChI=1S/3C17H14N4O.C16H11BrN4O.C16H12N4O2/c1-10-3-5-12(6-4-10)21-17(22)14-9-19-15-7-11(2)18-8-13(15)16(14)20-21;1-10-3-5-12(6-4-10)21-17(22)14-8-19-15-9-18-11(2)7-13(15)16(14)20-21;1-10-4-3-5-12(6-10)21-17(22)14-9-19-15-7-11(2)18-8-13(15)16(14)20-21;1-9-2-4-10(5-3-9)21-16(22)12-8-18-13-6-14(17)19-7-11(13)15(12)20-21;21-9-10-1-2-12-14(7-10)18-8-13-15(12)19-20(16(13)22)11-3-5-17-6-4-11/h3*3-9,20H,1-2H3;2-8,20H,1H3;1-8,19,21H,9H2
• InChIKey: WTHMRBFMLFGGNM-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 338.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 6
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.47
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one?

The IUPAC name of 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one (CID 159987698) is 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one.

What is the SMILES notation for 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one?

The canonical SMILES for 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one is Cc1ccc(-n2[nH]c3c(cnc4cc(Br)ncc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)cc1.Cc1ccc(-n2[nH]c3c(cnc4cnc(C)cc43)c2=O)cc1.Cc1cccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)c1.O=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1ccncc1.

What is the InChIKey of 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one?

The InChIKey is WTHMRBFMLFGGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H14N4O.C16H11BrN4O.C16H12N4O2/c1-10-3-5-12(6-4-10)21-17(22)14-9-19-15-7-11(2)18-8-13(15)16(14)20-21;1-10-3-5-12(6-4-10)21-17(22)14-8-19-15-9-18-11(2)7-13(15)16(14)20-21;1-10-4-3-5-12(6-10)21-17(22)14-9-19-15-7-11(2)18-8-13(15)16(14)20-21;1-9-2-4-10(5-3-9)21-16(22)12-8-18-13-6-14(17)19-7-11(13)15(12)20-21;21-9-10-1-2-12-14(7-10)18-8-13-15(12)19-20(16(13)22)11-3-5-17-6-4-11/h3*3-9,20H,1-2H3;2-8,20H,1H3;1-8,19,21H,9H2.

What are the key properties of 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one?

7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one has a molecular weight of 1518.47 g/mol, XLogP of 13.72, 6 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-(3-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;8-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one is sourced from PubChem (CID 159987698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).