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

C15H9N3O2S — CID 54723221

IUPAC6-hydroxy-11-pyridin-2-yl-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(-c4ccccn4)ccc3c2[nH]1
InChIInChI=1S/C15H9N3O2S/c19-11-7-12(20)18-13-8-4-5-10(9-3-1-2-6-16-9)17-15(8)21-14(11)13/h1-7H,(H2,18,19,20)
InChIKeyUWGJDPTULAHJPF-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.91
Rot. Bonds1

About 6-hydroxy-11-pyridin-2-yl-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-2-yl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (PubChem CID 54723221) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 6-hydroxy-11-pyridin-2-yl-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-2-yl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
PubChem CID54723221
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name6-hydroxy-11-pyridin-2-yl-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(-c4ccccn4)ccc3c2[nH]1
InChIInChI=1S/C15H9N3O2S/c19-11-7-12(20)18-13-8-4-5-10(9-3-1-2-6-16-9)17-15(8)21-14(11)13/h1-7H,(H2,18,19,20)
InChIKeyUWGJDPTULAHJPF-UHFFFAOYSA-N
XLogP2.91
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-11-pyridin-2-yl-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-2-yl-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-2-yl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one (CID 54723221) is 6-hydroxy-11-pyridin-2-yl-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-2-yl-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-2-yl-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(-c4ccccn4)ccc3c2[nH]1.
What is the InChIKey of 6-hydroxy-11-pyridin-2-yl-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one?
The InChIKey is UWGJDPTULAHJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c19-11-7-12(20)18-13-8-4-5-10(9-3-1-2-6-16-9)17-15(8)21-14(11)13/h1-7H,(H2,18,19,20).
What are the key properties of 6-hydroxy-11-pyridin-2-yl-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-2-yl-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 295.32 g/mol, XLogP of 2.91, 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-2-yl-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 54723221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).