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;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

C66H51ClN16O8 — CID 159994708

IUPAC8-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;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
SMILESCOc1ccc(-n2[nH]c3c(cnc4cnc(C)cc43)c2=O)cc1.COc1cccc(-n2[nH]c3c(cnc4cnc(C)cc43)c2=O)c1.COc1cccc(-n2[nH]c3c(cnc4cnc(Cl)cc43)c2=O)c1.O=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1cccnc1
InChIInChI=1S/2C17H14N4O2.C16H11ClN4O2.C16H12N4O2/c1-10-7-13-15(9-18-10)19-8-14-16(13)20-21(17(14)22)11-3-5-12(23-2)6-4-11;1-10-6-13-15(9-18-10)19-8-14-16(13)20-21(17(14)22)11-4-3-5-12(7-11)23-2;1-23-10-4-2-3-9(5-10)21-16(22)12-7-18-13-8-19-14(17)6-11(13)15(12)20-21;21-9-10-3-4-12-14(6-10)18-8-13-15(12)19-20(16(13)22)11-2-1-5-17-7-11/h2*3-9,20H,1-2H3;2-8,20H,1H3;1-8,19,21H,9H2
InChIKeyYZKTZMLXGKFBCY-UHFFFAOYSA-N
MW1231.69 g/mol
LogP9.84
Rot. Bonds8

About 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;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

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;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 (PubChem CID 159994708) has the molecular formula C66H51ClN16O8 and a molecular weight of 1231.69 g/mol. Its IUPAC name is 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;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.

Molecular Properties

Compound Name8-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;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
PubChem CID159994708
Molecular FormulaC66H51ClN16O8
Molecular Weight1231.69 g/mol
Exact Mass1230.38
IUPAC Name8-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;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
SMILESCOc1ccc(-n2[nH]c3c(cnc4cnc(C)cc43)c2=O)cc1.COc1cccc(-n2[nH]c3c(cnc4cnc(C)cc43)c2=O)c1.COc1cccc(-n2[nH]c3c(cnc4cnc(Cl)cc43)c2=O)c1.O=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1cccnc1
InChIInChI=1S/2C17H14N4O2.C16H11ClN4O2.C16H12N4O2/c1-10-7-13-15(9-18-10)19-8-14-16(13)20-21(17(14)22)11-3-5-12(23-2)6-4-11;1-10-6-13-15(9-18-10)19-8-14-16(13)20-21(17(14)22)11-4-3-5-12(7-11)23-2;1-23-10-4-2-3-9(5-10)21-16(22)12-7-18-13-8-19-14(17)6-11(13)15(12)20-21;21-9-10-3-4-12-14(6-10)18-8-13-15(12)19-20(16(13)22)11-2-1-5-17-7-11/h2*3-9,20H,1-2H3;2-8,20H,1H3;1-8,19,21H,9H2
InChIKeyYZKTZMLXGKFBCY-UHFFFAOYSA-N
XLogP9.84
TPSA302.20 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001231.69
LogP ≤ 59.84
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 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;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 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
8-chloro-2-(2-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;8-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 157846711
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
2-(4-chlorophenyl)-7-methyl-1H-pyrazolo[4,3-c]quinolin-3-one;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-nitrophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 161820530
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
8-chloro-2-(3-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one;bis(7-methyl-2-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one);7-methyl-2-(6-methyl-3-pyridinyl)-1H-pyrazolo[4,3-c]quinolin-3-one;[2-(4-methylphenyl)-1,3-dihydropyrazolo[4,3-c]quinolin-7-yl]methanol
CID 157387033
7-chloro-2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one;2-(4-methoxyphenyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-3-one
CID 157954042
2-(4-chlorophenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(3,5-dimethylpiperidin-1-yl)-8-fluoro-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-methoxyphenyl)-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;7-(4-methylpiperazin-1-yl)-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158376384
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-chloro-2-[2-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-(hydroxymethyl)-2-[6-(trideuteriomethoxy)-3-pyridinyl]-1H-pyrazolo[4,3-c]quinolin-3-one;7-methyl-2-[4-(trideuteriomethoxy)phenyl]-1H-pyrazolo[4,3-c]quinolin-3-one
CID 158850533
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

Frequently Asked Questions

What is the IUPAC name of 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;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?
The IUPAC name of 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;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 159994708) is 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;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.
What is the SMILES notation for 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;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?
The canonical SMILES for 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;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 is COc1ccc(-n2[nH]c3c(cnc4cnc(C)cc43)c2=O)cc1.COc1cccc(-n2[nH]c3c(cnc4cnc(C)cc43)c2=O)c1.COc1cccc(-n2[nH]c3c(cnc4cnc(Cl)cc43)c2=O)c1.O=c1c2cnc3cc(CO)ccc3c2[nH]n1-c1cccnc1.
What is the InChIKey of 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;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?
The InChIKey is YZKTZMLXGKFBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N4O2.C16H11ClN4O2.C16H12N4O2/c1-10-7-13-15(9-18-10)19-8-14-16(13)20-21(17(14)22)11-3-5-12(23-2)6-4-11;1-10-6-13-15(9-18-10)19-8-14-16(13)20-21(17(14)22)11-4-3-5-12(7-11)23-2;1-23-10-4-2-3-9(5-10)21-16(22)12-7-18-13-8-19-14(17)6-11(13)15(12)20-21;21-9-10-3-4-12-14(6-10)18-8-13-15(12)19-20(16(13)22)11-2-1-5-17-7-11/h2*3-9,20H,1-2H3;2-8,20H,1H3;1-8,19,21H,9H2.
What are the key properties of 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;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?
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;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 has a molecular weight of 1231.69 g/mol, XLogP of 9.84, 8 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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;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 is sourced from PubChem (CID 159994708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).