7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine

C25H19N3OS — CID 23156538

IUPAC7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine
SMILESCc1cc(Oc2ccnc3cc(-c4ccccc4)sc23)c(-c2ccccn2)nc1C
InChIInChI=1S/C25H19N3OS/c1-16-14-22(24(28-17(16)2)19-10-6-7-12-26-19)29-21-11-13-27-20-15-23(30-25(20)21)18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKeyCORNHDBIIRGCSL-UHFFFAOYSA-N
MW409.51 g/mol
LogP6.83
Rot. Bonds4

About 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine

7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine (PubChem CID 23156538) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine
PubChem CID23156538
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC Name7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine
SMILESCc1cc(Oc2ccnc3cc(-c4ccccc4)sc23)c(-c2ccccn2)nc1C
InChIInChI=1S/C25H19N3OS/c1-16-14-22(24(28-17(16)2)19-10-6-7-12-26-19)29-21-11-13-27-20-15-23(30-25(20)21)18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKeyCORNHDBIIRGCSL-UHFFFAOYSA-N
XLogP6.83
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine?
The IUPAC name of 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine (CID 23156538) is 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine.
What is the SMILES notation for 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine?
The canonical SMILES for 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine is Cc1cc(Oc2ccnc3cc(-c4ccccc4)sc23)c(-c2ccccn2)nc1C.
What is the InChIKey of 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine?
The InChIKey is CORNHDBIIRGCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c1-16-14-22(24(28-17(16)2)19-10-6-7-12-26-19)29-21-11-13-27-20-15-23(30-25(20)21)18-8-4-3-5-9-18/h3-15H,1-2H3.
What are the key properties of 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine?
7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine has a molecular weight of 409.51 g/mol, XLogP of 6.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-2-phenylthieno[3,2-b]pyridine is sourced from PubChem (CID 23156538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).