2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C26H17F3N4OS — CID 20790481

IUPAC2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Sc3ccccn3)cc(C(F)(F)F)c12
InChIInChI=1S/C26H17F3N4OS/c27-26(28,29)19-15-23(35-22-13-7-8-14-30-22)32-25-24(19)20(34)16-21(31-17-9-3-1-4-10-17)33(25)18-11-5-2-6-12-18/h1-16,31H
InChIKeyWKINXPXHRBYMKP-UHFFFAOYSA-N
MW490.51 g/mol
LogP6.69
Rot. Bonds5

About 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790481) has the molecular formula C26H17F3N4OS and a molecular weight of 490.51 g/mol. Its IUPAC name is 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790481
Molecular FormulaC26H17F3N4OS
Molecular Weight490.51 g/mol
Exact Mass490.11
IUPAC Name2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Sc3ccccn3)cc(C(F)(F)F)c12
InChIInChI=1S/C26H17F3N4OS/c27-26(28,29)19-15-23(35-22-13-7-8-14-30-22)32-25-24(19)20(34)16-21(31-17-9-3-1-4-10-17)33(25)18-11-5-2-6-12-18/h1-16,31H
InChIKeyWKINXPXHRBYMKP-UHFFFAOYSA-N
XLogP6.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.51
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[6-(acetylamino)-3-pyridinyl]sulfanyl}-N-(4-fluorophenyl)nicotinamide
CID 3713328
5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617051
2-{5-Methyl-4-oxo-6-[4-(pyridin-2-YL)piperazine-1-carbonyl]-3H,4H-thieno[2,3-D]pyrimidin-3-YL}-N-[3-(trifluoromethyl)phenyl]acetamide
CID 5082304
N-(2,4-difluorophenyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 6616997
5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 6617004
2-((3-benzyl-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide
CID 20879153
N-(4-Fluorophenyl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-3H,4H-pyrido[2,3-D]pyrimidin-2-YL}sulfanyl)butanamide
CID 20879210
2-Anilino-7-(4-methylpiperazin-1-yl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10116626
2-Anilino-7-(2-methylpropylsulfonyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10141797
2-Anilino-6-fluoro-5-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 10154602
2-Anilino-1-phenyl-7-piperazin-1-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10161980
2-Anilino-7-(2-methylpropylsulfanyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10162237

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790481) is 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Sc3ccccn3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is WKINXPXHRBYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4OS/c27-26(28,29)19-15-23(35-22-13-7-8-14-30-22)32-25-24(19)20(34)16-21(31-17-9-3-1-4-10-17)33(25)18-11-5-2-6-12-18/h1-16,31H.
What are the key properties of 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 490.51 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-phenyl-7-pyridin-2-ylsulfanyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).