7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one

C21H18F3N5O2 — CID 122180355

IUPAC7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESO=c1c2cn[nH]c2c2ncc(-c3ccccc3N3CCOCC3)cc2n1CC(F)(F)F
InChIInChI=1S/C21H18F3N5O2/c22-21(23,24)12-29-17-9-13(10-25-19(17)18-15(20(29)30)11-26-27-18)14-3-1-2-4-16(14)28-5-7-31-8-6-28/h1-4,9-11H,5-8,12H2,(H,26,27)
InChIKeyXJAZSPGIEYWMSB-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.34
Rot. Bonds3

About 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one

7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (PubChem CID 122180355) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.

Molecular Properties

Compound Name7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
PubChem CID122180355
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESO=c1c2cn[nH]c2c2ncc(-c3ccccc3N3CCOCC3)cc2n1CC(F)(F)F
InChIInChI=1S/C21H18F3N5O2/c22-21(23,24)12-29-17-9-13(10-25-19(17)18-15(20(29)30)11-26-27-18)14-3-1-2-4-16(14)28-5-7-31-8-6-28/h1-4,9-11H,5-8,12H2,(H,26,27)
InChIKeyXJAZSPGIEYWMSB-UHFFFAOYSA-N
XLogP3.34
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-(2-morpholinoethyl)-1H-pyrazole-5-carboxamide
CID 15958787
2-morpholin-1-yl-N-{4-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)-pyridin-2-yl]phenyl}acetamide
CID 10158539
2-(2,6-Difluorophenyl)-4-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118347794
US11597728, Example 220
CID 159576333
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
N-[2-[4-oxo-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-7-yl]phenyl]methanesulfonamide
CID 122180353
7-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 122180354
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
{5-[1-(3-Methylbenzoyl)-4-piperidyl]pyrazolo[1,5-a]pyridin-3-yl}(morpholino)methanone
CID 50849107
4-(1-{[6-(1H-pyrazol-4-yl)pyridin-3-yl]carbonyl}piperidin-4-yl)morpholine
CID 56743407

Frequently Asked Questions

What is the IUPAC name of 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The IUPAC name of 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (CID 122180355) is 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.
What is the SMILES notation for 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The canonical SMILES for 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is O=c1c2cn[nH]c2c2ncc(-c3ccccc3N3CCOCC3)cc2n1CC(F)(F)F.
What is the InChIKey of 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The InChIKey is XJAZSPGIEYWMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c22-21(23,24)12-29-17-9-13(10-25-19(17)18-15(20(29)30)11-26-27-18)14-3-1-2-4-16(14)28-5-7-31-8-6-28/h1-4,9-11H,5-8,12H2,(H,26,27).
What are the key properties of 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one has a molecular weight of 429.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is sourced from PubChem (CID 122180355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).