N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide

C18H14F3N5O3S — CID 122180352

IUPACN-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
InChIInChI=1S/C18H14F3N5O3S/c1-22-30(28,29)14-5-3-2-4-11(14)10-6-13-16(23-7-10)15-12(8-24-25-15)17(27)26(13)9-18(19,20)21/h2-8,22H,9H2,1H3,(H,24,25)
InChIKeySAXKWPLSGQABLQ-UHFFFAOYSA-N
MW437.40 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide

N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide (PubChem CID 122180352) has the molecular formula C18H14F3N5O3S and a molecular weight of 437.40 g/mol. Its IUPAC name is N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide
PubChem CID122180352
Molecular FormulaC18H14F3N5O3S
Molecular Weight437.40 g/mol
Exact Mass437.08
IUPAC NameN-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
InChIInChI=1S/C18H14F3N5O3S/c1-22-30(28,29)14-5-3-2-4-11(14)10-6-13-16(23-7-10)15-12(8-24-25-15)17(27)26(13)9-18(19,20)21/h2-8,22H,9H2,1H3,(H,24,25)
InChIKeySAXKWPLSGQABLQ-UHFFFAOYSA-N
XLogP2.41
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]benzenesulfonamide
CID 145453011
[4-(3-Fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 16297229
[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methanone
CID 16296668
7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180349
N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide
CID 122180353
7-(2-chloropyridin-3-yl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
CID 86298832
7-pyridin-3-yl-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,3-c][1,5]naphthyridin-4-one
CID 86298900
7-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180347
7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180348
5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180350
2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzamide
CID 122180351
7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180355

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide (CID 122180352) is N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1.
What is the InChIKey of N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide?
The InChIKey is SAXKWPLSGQABLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3S/c1-22-30(28,29)14-5-3-2-4-11(14)10-6-13-16(23-7-10)15-12(8-24-25-15)17(27)26(13)9-18(19,20)21/h2-8,22H,9H2,1H3,(H,24,25).
What are the key properties of N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide?
N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide has a molecular weight of 437.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide is sourced from PubChem (CID 122180352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).