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

C18H10F6N4O — CID 122180350

IUPAC5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESO=c1c2cn[nH]c2c2ncc(-c3ccccc3C(F)(F)F)cc2n1CC(F)(F)F
InChIInChI=1S/C18H10F6N4O/c19-17(20,21)8-28-13-5-9(10-3-1-2-4-12(10)18(22,23)24)6-25-15(13)14-11(16(28)29)7-26-27-14/h1-7H,8H2,(H,26,27)
InChIKeyDOLHLWAQTXUOSM-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.52
Rot. Bonds2

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

5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (PubChem CID 122180350) has the molecular formula C18H10F6N4O and a molecular weight of 412.29 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
PubChem CID122180350
Molecular FormulaC18H10F6N4O
Molecular Weight412.29 g/mol
Exact Mass412.08
IUPAC Name5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one
SMILESO=c1c2cn[nH]c2c2ncc(-c3ccccc3C(F)(F)F)cc2n1CC(F)(F)F
InChIInChI=1S/C18H10F6N4O/c19-17(20,21)8-28-13-5-9(10-3-1-2-4-12(10)18(22,23)24)6-25-15(13)14-11(16(28)29)7-26-27-14/h1-7H,8H2,(H,26,27)
InChIKeyDOLHLWAQTXUOSM-UHFFFAOYSA-N
XLogP4.52
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.52
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
N-(3-fluoro-4-pyridinyl)-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415060
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[6-(1H-pyrazol-5-yl)-3-pyridinyl]ethane-1,2-dione
CID 24995075
5-(3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-6-phenylnicotinamide
CID 118392439
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
N-(6-glycyl-2-phenyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-3-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393697
3-(2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamido)-2-phenyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxamide
CID 118393706
3-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-2-phenyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
CID 118411454
6-[5-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-6-phenylpyridin-3-yl]pyridine-3-carboxamide
CID 118411511
5-fluoro-N-[5-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654559
2-phenyl-N-[3-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 165414998

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one (CID 122180350) is 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is O=c1c2cn[nH]c2c2ncc(-c3ccccc3C(F)(F)F)cc2n1CC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
The InChIKey is DOLHLWAQTXUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N4O/c19-17(20,21)8-28-13-5-9(10-3-1-2-4-12(10)18(22,23)24)6-25-15(13)14-11(16(28)29)7-26-27-14/h1-7H,8H2,(H,26,27).
What are the key properties of 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one?
5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one has a molecular weight of 412.29 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-7-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[4,5-c][1,5]naphthyridin-4-one is sourced from PubChem (CID 122180350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).