7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine

C16H16N4O3S — CID 59490871

IUPAC7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
SMILESCOc1cccc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C16H16N4O3S/c1-23-12-3-2-4-13(7-12)24(21,22)20-6-5-14-11(10-20)8-17-16-15(14)9-18-19-16/h2-4,7-9H,5-6,10H2,1H3,(H,17,18,19)
InChIKeySTMAXLDVHLIIAV-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.71
Rot. Bonds3

About 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine

7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine (PubChem CID 59490871) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine.

Molecular Properties

Compound Name7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
PubChem CID59490871
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
SMILESCOc1cccc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1
InChIInChI=1S/C16H16N4O3S/c1-23-12-3-2-4-13(7-12)24(21,22)20-6-5-14-11(10-20)8-17-16-15(14)9-18-19-16/h2-4,7-9H,5-6,10H2,1H3,(H,17,18,19)
InChIKeySTMAXLDVHLIIAV-UHFFFAOYSA-N
XLogP1.71
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-ylsulfonyl)benzonitrile
CID 59490509
3-methoxy-N-(6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c]isoquinolin-7-yl)benzenesulfonamide
CID 59490547
7-(2-chlorophenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
CID 59490752
11-(3-methoxyphenyl)sulfonyl-4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
CID 90628428
7-(3-methoxyphenyl)sulfonyl-2-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24732775
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
7-(benzenesulfonyl)-3-[(4-methoxyphenyl)methyl]-8,9-dihydro-6H-pyrazolo[3,4-c][2,7]naphthyridine
CID 59490619
1-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]ethanone
CID 110726151
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-(3-methoxyphenyl)sulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
CID 135601442
7-[(5-chloro-2,3-dihydrothiophen-2-yl)sulfonyl]-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine
CID 89050764
N-(3,5-dimethoxyphenyl)-6-(3,4-dimethylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 50787288

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The IUPAC name of 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine (CID 59490871) is 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine.
What is the SMILES notation for 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The canonical SMILES for 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine is COc1cccc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)c1.
What is the InChIKey of 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
The InChIKey is STMAXLDVHLIIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-23-12-3-2-4-13(7-12)24(21,22)20-6-5-14-11(10-20)8-17-16-15(14)9-18-19-16/h2-4,7-9H,5-6,10H2,1H3,(H,17,18,19).
What are the key properties of 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine?
7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine has a molecular weight of 344.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxyphenyl)sulfonyl-3,6,8,9-tetrahydropyrazolo[3,4-c][2,7]naphthyridine is sourced from PubChem (CID 59490871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).