6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

C16H8F3N3O2S — CID 54681786

IUPAC6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESO=c1cc(O)c2sc3nc(-c4cccnc4)cc(C(F)(F)F)c3c2[nH]1
InChIInChI=1S/C16H8F3N3O2S/c17-16(18,19)8-4-9(7-2-1-3-20-6-7)21-15-12(8)13-14(25-15)10(23)5-11(24)22-13/h1-6H,(H2,22,23,24)
InChIKeyRKJVIPPDRQKDOQ-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.92
Rot. Bonds1

About 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one

6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (PubChem CID 54681786) has the molecular formula C16H8F3N3O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.

Molecular Properties

Compound Name6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
PubChem CID54681786
Molecular FormulaC16H8F3N3O2S
Molecular Weight363.32 g/mol
Exact Mass363.03
IUPAC Name6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
SMILESO=c1cc(O)c2sc3nc(-c4cccnc4)cc(C(F)(F)F)c3c2[nH]1
InChIInChI=1S/C16H8F3N3O2S/c17-16(18,19)8-4-9(7-2-1-3-20-6-7)21-15-12(8)13-14(25-15)10(23)5-11(24)22-13/h1-6H,(H2,22,23,24)
InChIKeyRKJVIPPDRQKDOQ-UHFFFAOYSA-N
XLogP3.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The IUPAC name of 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (CID 54681786) is 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one.
What is the SMILES notation for 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The canonical SMILES for 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is O=c1cc(O)c2sc3nc(-c4cccnc4)cc(C(F)(F)F)c3c2[nH]1.
What is the InChIKey of 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The InChIKey is RKJVIPPDRQKDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N3O2S/c17-16(18,19)8-4-9(7-2-1-3-20-6-7)21-15-12(8)13-14(25-15)10(23)5-11(24)22-13/h1-6H,(H2,22,23,24).
What are the key properties of 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one has a molecular weight of 363.32 g/mol, XLogP of 3.92, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-11-pyridin-3-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one is sourced from PubChem (CID 54681786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).