6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione

C27H15F4NO4S — CID 59240777

IUPAC6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c(O)c1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H15F4NO4S/c28-17-9-11-18(12-10-17)32-20(15-5-2-1-3-6-15)14-21-22(25(32)34)23(33)24(26(35)36-21)37-19-8-4-7-16(13-19)27(29,30)31/h1-14,33H
InChIKeyNNSKRJSYCKBCGL-UHFFFAOYSA-N
MW525.48 g/mol
LogP6.63
Rot. Bonds4

About 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione

6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59240777) has the molecular formula C27H15F4NO4S and a molecular weight of 525.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59240777
Molecular FormulaC27H15F4NO4S
Molecular Weight525.48 g/mol
Exact Mass525.07
IUPAC Name6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c(O)c1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H15F4NO4S/c28-17-9-11-18(12-10-17)32-20(15-5-2-1-3-6-15)14-21-22(25(32)34)23(33)24(26(35)36-21)37-19-8-4-7-16(13-19)27(29,30)31/h1-14,33H
InChIKeyNNSKRJSYCKBCGL-UHFFFAOYSA-N
XLogP6.63
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.48
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

13,15-Difluoro-7-hydroxy-17,17-dimethyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
CID 59240746
6-(2-Fluorophenyl)sulfanyl-7-hydroxy-14-(trifluoromethyl)spiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240762
14-Fluoro-7-hydroxy-6-(4-methylphenyl)sulfanylspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240765
4-Fluoro-15-(3-fluorophenyl)sulfanyl-16-hydroxy-19-phenyl-13-oxa-19-azatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2(7),3,5,12(17),15-hexaene-14,18-dione
CID 59240768
14-Fluoro-6-(3-fluorophenyl)sulfanyl-7-hydroxyspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240784
13,15-Difluoro-7-hydroxy-17,17-dimethyl-6-phenylsulfanyl-4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-5,9-dione
CID 59240802
6-(3-Fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240803
3-(2-Bromophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240806
4-Hydroxy-6-phenyl-3-(2,3,5,6-tetrafluorophenyl)sulfanylpyrano[3,2-c]quinoline-2,5-dione
CID 59240816
6-(3-Fluorophenyl)-4-hydroxy-8-methyl-7-phenyl-3-[2-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione
CID 59240819
7-Hydroxy-14-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]sulfanylspiro[4-oxa-10-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),6,11(16),12,14-hexaene-17,1'-cyclohexane]-5,9-dione
CID 59240821
6-(4-Fluorophenyl)-4-hydroxy-3-(2-hydroxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
CID 59240822

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione (CID 59240777) is 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione is O=c1oc2cc(-c3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c(O)c1Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is NNSKRJSYCKBCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F4NO4S/c28-17-9-11-18(12-10-17)32-20(15-5-2-1-3-6-15)14-21-22(25(32)34)23(33)24(26(35)36-21)37-19-8-4-7-16(13-19)27(29,30)31/h1-14,33H.
What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione?
6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 525.48 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydroxy-7-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59240777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).