5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

C22H18FN5O2 — CID 29279136

IUPAC5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCCc2ccccc21
InChIInChI=1S/C22H18FN5O2/c23-17-9-7-15(8-10-17)18-12-20-22(30)27(24-14-28(20)25-18)13-21(29)26-11-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-10,12,14H,3,5,11,13H2
InChIKeyNHZWVVJTMLYARF-UHFFFAOYSA-N
MW403.42 g/mol
LogP2.68
Rot. Bonds3

About 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 29279136) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID29279136
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCCc2ccccc21
InChIInChI=1S/C22H18FN5O2/c23-17-9-7-15(8-10-17)18-12-20-22(30)27(24-14-28(20)25-18)13-21(29)26-11-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-10,12,14H,3,5,11,13H2
InChIKeyNHZWVVJTMLYARF-UHFFFAOYSA-N
XLogP2.68
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
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CID 29279203
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CID 71801680
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CID 46857561
2-(4-fluorophenyl)-5-[(2-fluorophenyl)methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331774
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 51363612
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methyl-6-phenylpyrimidin-4-one
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6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-propan-2-ylpyrazolo[4,5-d]pyridazin-7-one
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1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]ethanone
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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 29279136) is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is O=C(Cn1ncn2nc(-c3ccc(F)cc3)cc2c1=O)N1CCCc2ccccc21.
What is the InChIKey of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is NHZWVVJTMLYARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-17-9-7-15(8-10-17)18-12-20-22(30)27(24-14-28(20)25-18)13-21(29)26-11-3-5-16-4-1-2-6-19(16)26/h1-2,4,6-10,12,14H,3,5,11,13H2.
What are the key properties of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 403.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 29279136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).