15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one

C19H10FN3O2S — CID 67380568

IUPAC15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
SMILESO=c1[nH]ccc2c3sc(Oc4cccnc4)nc3c3ccc(F)cc3c12
InChIInChI=1S/C19H10FN3O2S/c20-10-3-4-12-14(8-10)15-13(5-7-22-18(15)24)17-16(12)23-19(26-17)25-11-2-1-6-21-9-11/h1-9H,(H,22,24)
InChIKeyADLIYAFRQKKSMI-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.62
Rot. Bonds2

About 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one

15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one (PubChem CID 67380568) has the molecular formula C19H10FN3O2S and a molecular weight of 363.37 g/mol. Its IUPAC name is 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one.

Molecular Properties

Compound Name15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
PubChem CID67380568
Molecular FormulaC19H10FN3O2S
Molecular Weight363.37 g/mol
Exact Mass363.05
IUPAC Name15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
SMILESO=c1[nH]ccc2c3sc(Oc4cccnc4)nc3c3ccc(F)cc3c12
InChIInChI=1S/C19H10FN3O2S/c20-10-3-4-12-14(8-10)15-13(5-7-22-18(15)24)17-16(12)23-19(26-17)25-11-2-1-6-21-9-11/h1-9H,(H,22,24)
InChIKeyADLIYAFRQKKSMI-UHFFFAOYSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one?
The IUPAC name of 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one (CID 67380568) is 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one.
What is the SMILES notation for 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one?
The canonical SMILES for 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one is O=c1[nH]ccc2c3sc(Oc4cccnc4)nc3c3ccc(F)cc3c12.
What is the InChIKey of 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one?
The InChIKey is ADLIYAFRQKKSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FN3O2S/c20-10-3-4-12-14(8-10)15-13(5-7-22-18(15)24)17-16(12)23-19(26-17)25-11-2-1-6-21-9-11/h1-9H,(H,22,24).
What are the key properties of 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one?
15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one has a molecular weight of 363.37 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-4-pyridin-3-yloxy-5-thia-3,10-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one is sourced from PubChem (CID 67380568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).