3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline

C24H23FN4O2S — CID 58474442

IUPAC3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
SMILESNc1ccc(Oc2ccnc3cc(-c4ccc(CCN5CCOCC5)cn4)sc23)c(F)c1
InChIInChI=1S/C24H23FN4O2S/c25-18-13-17(26)2-4-21(18)31-22-5-7-27-20-14-23(32-24(20)22)19-3-1-16(15-28-19)6-8-29-9-11-30-12-10-29/h1-5,7,13-15H,6,8-12,26H2
InChIKeyDLBVDZKTZXFREA-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.75
Rot. Bonds6

About 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline

3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline (PubChem CID 58474442) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
PubChem CID58474442
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC Name3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
SMILESNc1ccc(Oc2ccnc3cc(-c4ccc(CCN5CCOCC5)cn4)sc23)c(F)c1
InChIInChI=1S/C24H23FN4O2S/c25-18-13-17(26)2-4-21(18)31-22-5-7-27-20-14-23(32-24(20)22)19-3-1-16(15-28-19)6-8-29-9-11-30-12-10-29/h1-5,7,13-15H,6,8-12,26H2
InChIKeyDLBVDZKTZXFREA-UHFFFAOYSA-N
XLogP4.75
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline?
The IUPAC name of 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline (CID 58474442) is 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline.
What is the SMILES notation for 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline?
The canonical SMILES for 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline is Nc1ccc(Oc2ccnc3cc(-c4ccc(CCN5CCOCC5)cn4)sc23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline?
The InChIKey is DLBVDZKTZXFREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c25-18-13-17(26)2-4-21(18)31-22-5-7-27-20-14-23(32-24(20)22)19-3-1-16(15-28-19)6-8-29-9-11-30-12-10-29/h1-5,7,13-15H,6,8-12,26H2.
What are the key properties of 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline?
3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline has a molecular weight of 450.54 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline is sourced from PubChem (CID 58474442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).