6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C15H9FN4 — CID 175707668

IUPAC6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILES[2H]c1cncc2c1[nH]c1nc(-c3ccc(F)nc3)ccc12
InChIInChI=1S/C15H9FN4/c16-14-4-1-9(7-18-14)12-3-2-10-11-8-17-6-5-13(11)20-15(10)19-12/h1-8H,(H,19,20)/i5D
InChIKeyFDMOHTOITMTGNG-UICOGKGYSA-N
MW265.27 g/mol
LogP3.31
Rot. Bonds1

About 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 175707668) has the molecular formula C15H9FN4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID175707668
Molecular FormulaC15H9FN4
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILES[2H]c1cncc2c1[nH]c1nc(-c3ccc(F)nc3)ccc12
InChIInChI=1S/C15H9FN4/c16-14-4-1-9(7-18-14)12-3-2-10-11-8-17-6-5-13(11)20-15(10)19-12/h1-8H,(H,19,20)/i5D
InChIKeyFDMOHTOITMTGNG-UICOGKGYSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 175707668) is 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is [2H]c1cncc2c1[nH]c1nc(-c3ccc(F)nc3)ccc12.
What is the InChIKey of 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FDMOHTOITMTGNG-UICOGKGYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-14-4-1-9(7-18-14)12-3-2-10-11-8-17-6-5-13(11)20-15(10)19-12/h1-8H,(H,19,20)/i5D.
What are the key properties of 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 265.27 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-11-(6-fluoro-3-pyridinyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 175707668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).