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

C18H14F3N5O3S — CID 122180353

IUPACN-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
InChIInChI=1S/C18H14F3N5O3S/c1-30(28,29)25-13-5-3-2-4-11(13)10-6-14-16(22-7-10)15-12(8-23-24-15)17(27)26(14)9-18(19,20)21/h2-8,25H,9H2,1H3,(H,23,24)
InChIKeyIGFGLGIEYSBFJP-UHFFFAOYSA-N
MW437.40 g/mol
LogP2.87
Rot. Bonds4

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

N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide (PubChem CID 122180353) has the molecular formula C18H14F3N5O3S and a molecular weight of 437.40 g/mol. Its IUPAC name is N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide
PubChem CID122180353
Molecular FormulaC18H14F3N5O3S
Molecular Weight437.40 g/mol
Exact Mass437.08
IUPAC NameN-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1
InChIInChI=1S/C18H14F3N5O3S/c1-30(28,29)25-13-5-3-2-4-11(13)10-6-14-16(22-7-10)15-12(8-23-24-15)17(27)26(14)9-18(19,20)21/h2-8,25H,9H2,1H3,(H,23,24)
InChIKeyIGFGLGIEYSBFJP-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654559
4-[[(3S)-1-methylsulfonylpiperidin-3-yl]amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937353
4-[[(3S,4S)-4-(fluoromethyl)-1-methylsulfonylpyrrolidin-3-yl]amino]-6-[6-(trifluoromethyl)-3-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 91937390
7-(2-methylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180349
N-methyl-2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]benzenesulfonamide
CID 122180352
6-(2-Methylpyrazol-3-yl)-4-[4-(4-methylsulfonylpiperazin-1-yl)-3-(trifluoromethyl)anilino]quinoline-3-carboxamide
CID 127035980
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide (CID 122180353) is N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1-c1cnc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1.
What is the InChIKey of N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide?
The InChIKey is IGFGLGIEYSBFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3S/c1-30(28,29)25-13-5-3-2-4-11(13)10-6-14-16(22-7-10)15-12(8-23-24-15)17(27)26(14)9-18(19,20)21/h2-8,25H,9H2,1H3,(H,23,24).
What are the key properties of N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide?
N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide has a molecular weight of 437.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 122180353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).