12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C32H19FN2OS — CID 164939774

IUPAC12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESFc1cnc(-c2cccc(Oc3cccc(-c4ccccc4)n3)c2)c2sc3c4ccccc4ccc3c12
InChIInChI=1S/C32H19FN2OS/c33-26-19-34-30(32-29(26)25-17-16-20-8-4-5-13-24(20)31(25)37-32)22-11-6-12-23(18-22)36-28-15-7-14-27(35-28)21-9-2-1-3-10-21/h1-19H
InChIKeyRMXOCWAGLDFSNL-UHFFFAOYSA-N
MW498.58 g/mol
LogP9.26
Rot. Bonds4

About 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 164939774) has the molecular formula C32H19FN2OS and a molecular weight of 498.58 g/mol. Its IUPAC name is 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID164939774
Molecular FormulaC32H19FN2OS
Molecular Weight498.58 g/mol
Exact Mass498.12
IUPAC Name12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESFc1cnc(-c2cccc(Oc3cccc(-c4ccccc4)n3)c2)c2sc3c4ccccc4ccc3c12
InChIInChI=1S/C32H19FN2OS/c33-26-19-34-30(32-29(26)25-17-16-20-8-4-5-13-24(20)31(25)37-32)22-11-6-12-23(18-22)36-28-15-7-14-27(35-28)21-9-2-1-3-10-21/h1-19H
InChIKeyRMXOCWAGLDFSNL-UHFFFAOYSA-N
XLogP9.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 59.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

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CID 138971683
15-[3-(3-Pyridin-2-ylphenoxy)phenyl]-12-(trifluoromethyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
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CID 165167941
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CID 165167971

Frequently Asked Questions

What is the IUPAC name of 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 164939774) is 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is Fc1cnc(-c2cccc(Oc3cccc(-c4ccccc4)n3)c2)c2sc3c4ccccc4ccc3c12.
What is the InChIKey of 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is RMXOCWAGLDFSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19FN2OS/c33-26-19-34-30(32-29(26)25-17-16-20-8-4-5-13-24(20)31(25)37-32)22-11-6-12-23(18-22)36-28-15-7-14-27(35-28)21-9-2-1-3-10-21/h1-19H.
What are the key properties of 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 498.58 g/mol, XLogP of 9.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-fluoro-15-[3-[(6-phenyl-2-pyridinyl)oxy]phenyl]-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 164939774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).