4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine

C23H21N3O2S — CID 56680584

IUPAC4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine
SMILESCOc1ncc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C23H21N3O2S/c1-27-23-19-14-21(17-6-8-24-9-7-17)29-22(19)20(15-25-23)16-2-4-18(5-3-16)26-10-12-28-13-11-26/h2-9,14-15H,10-13H2,1H3
InChIKeyRELLACPMNKFOEB-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.87
Rot. Bonds4

About 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine

4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine (PubChem CID 56680584) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine
PubChem CID56680584
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine
SMILESCOc1ncc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C23H21N3O2S/c1-27-23-19-14-21(17-6-8-24-9-7-17)29-22(19)20(15-25-23)16-2-4-18(5-3-16)26-10-12-28-13-11-26/h2-9,14-15H,10-13H2,1H3
InChIKeyRELLACPMNKFOEB-UHFFFAOYSA-N
XLogP4.87
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine?
The IUPAC name of 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine (CID 56680584) is 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine?
The canonical SMILES for 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine is COc1ncc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc12.
What is the InChIKey of 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine?
The InChIKey is RELLACPMNKFOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-27-23-19-14-21(17-6-8-24-9-7-17)29-22(19)20(15-25-23)16-2-4-18(5-3-16)26-10-12-28-13-11-26/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine?
4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine has a molecular weight of 403.51 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine is sourced from PubChem (CID 56680584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).