15-fluoro-4-(4-hydroxypiperidin-1-yl)-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

C19H16FN3O2S — CID 11523550

IUPAC15-fluoro-4-(4-hydroxypiperidin-1-yl)-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(N4CCC(O)CC4)nc3c3ccc(F)cc3c12
InChIInChI=1S/C19H16FN3O2S/c20-10-1-2-12-14(9-10)15-13(3-6-21-18(15)25)17-16(12)22-19(26-17)23-7-4-11(24)5-8-23/h1-3,6,9,11,24H,4-5,7-8H2,(H,21,25)
InChIKeyHDNQCMZLSLWSGL-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.39
Rot. Bonds1

About 15-fluoro-4-(4-hydroxypiperidin-1-yl)-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-(4-hydroxypiperidin-1-yl)-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 11523550) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 15-fluoro-4-(4-hydroxypiperidin-1-yl)-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-(4-hydroxypiperidin-1-yl)-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 CID11523550
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name15-fluoro-4-(4-hydroxypiperidin-1-yl)-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(N4CCC(O)CC4)nc3c3ccc(F)cc3c12
InChIInChI=1S/C19H16FN3O2S/c20-10-1-2-12-14(9-10)15-13(3-6-21-18(15)25)17-16(12)22-19(26-17)23-7-4-11(24)5-8-23/h1-3,6,9,11,24H,4-5,7-8H2,(H,21,25)
InChIKeyHDNQCMZLSLWSGL-UHFFFAOYSA-N
XLogP3.39
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 15-fluoro-4-(4-hydroxypiperidin-1-yl)-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-(4-hydroxypiperidin-1-yl)-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 11523550) is 15-fluoro-4-(4-hydroxypiperidin-1-yl)-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-(4-hydroxypiperidin-1-yl)-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-(4-hydroxypiperidin-1-yl)-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(N4CCC(O)CC4)nc3c3ccc(F)cc3c12.
What is the InChIKey of 15-fluoro-4-(4-hydroxypiperidin-1-yl)-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 HDNQCMZLSLWSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c20-10-1-2-12-14(9-10)15-13(3-6-21-18(15)25)17-16(12)22-19(26-17)23-7-4-11(24)5-8-23/h1-3,6,9,11,24H,4-5,7-8H2,(H,21,25).
What are the key properties of 15-fluoro-4-(4-hydroxypiperidin-1-yl)-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-(4-hydroxypiperidin-1-yl)-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 369.42 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-4-(4-hydroxypiperidin-1-yl)-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 11523550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).