5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one

C23H21N3O2S — CID 56680583

IUPAC5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc2c1=O
InChIInChI=1S/C23H21N3O2S/c1-25-15-20(16-2-4-18(5-3-16)26-10-12-28-13-11-26)22-19(23(25)27)14-21(29-22)17-6-8-24-9-7-17/h2-9,14-15H,10-13H2,1H3
InChIKeyWVLBSRCGDXMGGV-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.17
Rot. Bonds3

About 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one

5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one (PubChem CID 56680583) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one
PubChem CID56680583
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one
SMILESCn1cc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc2c1=O
InChIInChI=1S/C23H21N3O2S/c1-25-15-20(16-2-4-18(5-3-16)26-10-12-28-13-11-26)22-19(23(25)27)14-21(29-22)17-6-8-24-9-7-17/h2-9,14-15H,10-13H2,1H3
InChIKeyWVLBSRCGDXMGGV-UHFFFAOYSA-N
XLogP4.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one (CID 56680583) is 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one is Cn1cc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc2c1=O.
What is the InChIKey of 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one?
The InChIKey is WVLBSRCGDXMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-25-15-20(16-2-4-18(5-3-16)26-10-12-28-13-11-26)22-19(23(25)27)14-21(29-22)17-6-8-24-9-7-17/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one?
5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one has a molecular weight of 403.51 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(4-morpholin-4-ylphenyl)-2-pyridin-4-ylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 56680583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).