7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one

C19H20N4O4S — CID 176504405

IUPAC7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
SMILESCOc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCc2cc(=O)n(C)cc2C1
InChIInChI=1S/C19H20N4O4S/c1-21-12-15-13-22(9-6-14(15)10-19(21)24)28(25,26)18-11-16(4-5-17(18)27-2)23-8-3-7-20-23/h3-5,7-8,10-12H,6,9,13H2,1-2H3
InChIKeyUUNNPDXFUAJDSF-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.33
Rot. Bonds4

About 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one

7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one (PubChem CID 176504405) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one.

Molecular Properties

Compound Name7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
PubChem CID176504405
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one
SMILESCOc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCc2cc(=O)n(C)cc2C1
InChIInChI=1S/C19H20N4O4S/c1-21-12-15-13-22(9-6-14(15)10-19(21)24)28(25,26)18-11-16(4-5-17(18)27-2)23-8-3-7-20-23/h3-5,7-8,10-12H,6,9,13H2,1-2H3
InChIKeyUUNNPDXFUAJDSF-UHFFFAOYSA-N
XLogP1.33
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The IUPAC name of 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one (CID 176504405) is 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one.
What is the SMILES notation for 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The canonical SMILES for 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one is COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCc2cc(=O)n(C)cc2C1.
What is the InChIKey of 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one?
The InChIKey is UUNNPDXFUAJDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-21-12-15-13-22(9-6-14(15)10-19(21)24)28(25,26)18-11-16(4-5-17(18)27-2)23-8-3-7-20-23/h3-5,7-8,10-12H,6,9,13H2,1-2H3.
What are the key properties of 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one?
7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one has a molecular weight of 400.46 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-5-pyrazol-1-ylphenyl)sulfonyl-2-methyl-6,8-dihydro-5H-2,7-naphthyridin-3-one is sourced from PubChem (CID 176504405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).