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

C66H51BrN16O8 — CID 162044169

IUPAC7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(Br)ncc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)cc1.COc1cccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)c1.O=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1ccncc1
InChIInChI=1S/2C17H14N4O2.C16H11BrN4O2.C16H12N4O2/c1-10-7-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-3-5-12(23-2)6-4-11;1-10-6-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-4-3-5-12(7-11)23-2;1-23-10-4-2-9(3-5-10)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/h2*3-9,20H,1-2H3;2-8,20H,1H3;1-8,19,21H,9H2
InChIKeyVVIDUDDSENCAOY-UHFFFAOYSA-N
MW1276.14 g/mol
LogP9.95
Rot. Bonds8

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

7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one (PubChem CID 162044169) has the molecular formula C66H51BrN16O8 and a molecular weight of 1276.14 g/mol. Its IUPAC name is 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one.

Molecular Properties

Compound Name7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
PubChem CID162044169
Molecular FormulaC66H51BrN16O8
Molecular Weight1276.14 g/mol
Exact Mass1274.33
IUPAC Name7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4cc(Br)ncc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)cc1.COc1cccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)c1.O=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1ccncc1
InChIInChI=1S/2C17H14N4O2.C16H11BrN4O2.C16H12N4O2/c1-10-7-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-3-5-12(23-2)6-4-11;1-10-6-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-4-3-5-12(7-11)23-2;1-23-10-4-2-9(3-5-10)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/h2*3-9,20H,1-2H3;2-8,20H,1H3;1-8,19,21H,9H2
InChIKeyVVIDUDDSENCAOY-UHFFFAOYSA-N
XLogP9.95
TPSA302.20 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001276.14
LogP ≤ 59.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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

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Related Compounds

8-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157552135
7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-6-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157952930
2-(4-fluorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158921548
7-bromo-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-(6-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157327962
7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157748507
7-bromo-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-bromo-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-(4-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158268778
8-bromo-6-fluoro-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-bromo-6-fluoro-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158405995
7-bromo-2-(2-methoxy-4-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-chloro-2-(3-methoxyphenyl)-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-3-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-8-methyl-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one;2-(4-methoxyphenyl)-8-methyl-1H-pyrazolo[4,3-c][1,7]naphthyridin-3-one
CID 158514291
8-(hydroxymethyl)-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158960526
7-(hydroxymethyl)-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[3-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;8-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159272501
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-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(6-methoxy-3-pyridinyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 159450411
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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The IUPAC name of 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one (CID 162044169) is 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one.
What is the SMILES notation for 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The canonical SMILES for 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one is COc1ccc(-n2[nH]c3c(cnc4cc(Br)ncc43)c2=O)cc1.COc1ccc(-n2[nH]c3c(cnc4cc(C)ncc43)c2=O)cc1.COc1cccc(-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-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The InChIKey is VVIDUDDSENCAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N4O2.C16H11BrN4O2.C16H12N4O2/c1-10-7-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-3-5-12(23-2)6-4-11;1-10-6-15-13(8-18-10)16-14(9-19-15)17(22)21(20-16)11-4-3-5-12(7-11)23-2;1-23-10-4-2-9(3-5-10)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/h2*3-9,20H,1-2H3;2-8,20H,1H3;1-8,19,21H,9H2.
What are the key properties of 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one has a molecular weight of 1276.14 g/mol, XLogP of 9.95, 8 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;7-(hydroxymethyl)-2-pyridin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one is sourced from PubChem (CID 162044169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).