4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine

C21H20FN5OS — CID 139309291

IUPAC4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine
SMILESFc1ccc2c3c([nH]c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3
InChIInChI=1S/C21H20FN5OS/c22-13-1-2-15-16-12-27(4-3-17(16)24-18(15)9-13)14-10-19-20(23-11-14)25-21(29-19)26-5-7-28-8-6-26/h1-2,9-11,24H,3-8,12H2
InChIKeyZKVZLKJUXRGVQO-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.71
Rot. Bonds2

About 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine

4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine (PubChem CID 139309291) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine
PubChem CID139309291
Molecular FormulaC21H20FN5OS
Molecular Weight409.49 g/mol
Exact Mass409.14
IUPAC Name4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine
SMILESFc1ccc2c3c([nH]c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3
InChIInChI=1S/C21H20FN5OS/c22-13-1-2-15-16-12-27(4-3-17(16)24-18(15)9-13)14-10-19-20(23-11-14)25-21(29-19)26-5-7-28-8-6-26/h1-2,9-11,24H,3-8,12H2
InChIKeyZKVZLKJUXRGVQO-UHFFFAOYSA-N
XLogP3.71
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine?
The IUPAC name of 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine (CID 139309291) is 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine?
The canonical SMILES for 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine is Fc1ccc2c3c([nH]c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3.
What is the InChIKey of 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine?
The InChIKey is ZKVZLKJUXRGVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c22-13-1-2-15-16-12-27(4-3-17(16)24-18(15)9-13)14-10-19-20(23-11-14)25-21(29-19)26-5-7-28-8-6-26/h1-2,9-11,24H,3-8,12H2.
What are the key properties of 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine?
4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine has a molecular weight of 409.49 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine is sourced from PubChem (CID 139309291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).