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

C17H10F4N4O — CID 122180348

IUPAC7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESO=c1c2cn[nH]c2c2ncc(-c3ccc(F)cc3)cc2n1CC(F)(F)F
InChIInChI=1S/C17H10F4N4O/c18-11-3-1-9(2-4-11)10-5-13-15(22-6-10)14-12(7-23-24-14)16(26)25(13)8-17(19,20)21/h1-7H,8H2,(H,23,24)
InChIKeyYSIFLGLCLMIFIP-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.64
Rot. Bonds2

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

7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (PubChem CID 122180348) has the molecular formula C17H10F4N4O and a molecular weight of 362.29 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
PubChem CID122180348
Molecular FormulaC17H10F4N4O
Molecular Weight362.29 g/mol
Exact Mass362.08
IUPAC Name7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESO=c1c2cn[nH]c2c2ncc(-c3ccc(F)cc3)cc2n1CC(F)(F)F
InChIInChI=1S/C17H10F4N4O/c18-11-3-1-9(2-4-11)10-5-13-15(22-6-10)14-12(7-23-24-14)16(26)25(13)8-17(19,20)21/h1-7H,8H2,(H,23,24)
InChIKeyYSIFLGLCLMIFIP-UHFFFAOYSA-N
XLogP3.64
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 57382333
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridine-3-carboxamide
CID 137646593
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
CID 24995075
1-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 45138007
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268020
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(5-oxo-2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 91933937
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(5-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 118393478

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (CID 122180348) is 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is O=c1c2cn[nH]c2c2ncc(-c3ccc(F)cc3)cc2n1CC(F)(F)F.
What is the InChIKey of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The InChIKey is YSIFLGLCLMIFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4O/c18-11-3-1-9(2-4-11)10-5-13-15(22-6-10)14-12(7-23-24-14)16(26)25(13)8-17(19,20)21/h1-7H,8H2,(H,23,24).
What are the key properties of 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one has a molecular weight of 362.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-(2,2,2-trifluoroethyl)-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is sourced from PubChem (CID 122180348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).