7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

C20H14N2O3S — CID 53380599

IUPAC7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(-c2ccc3c(c2)OCCO3)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C20H14N2O3S/c23-20-14-10-18(12-3-5-21-6-4-12)26-19(14)15(11-22-20)13-1-2-16-17(9-13)25-8-7-24-16/h1-6,9-11H,7-8H2,(H,22,23)
InChIKeyZPWUMOCCPBUNND-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.09
Rot. Bonds2

About 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one

7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 53380599) has the molecular formula C20H14N2O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
PubChem CID53380599
Molecular FormulaC20H14N2O3S
Molecular Weight362.41 g/mol
Exact Mass362.07
IUPAC Name7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(-c2ccc3c(c2)OCCO3)c2sc(-c3ccncc3)cc12
InChIInChI=1S/C20H14N2O3S/c23-20-14-10-18(12-3-5-21-6-4-12)26-19(14)15(11-22-20)13-1-2-16-17(9-13)25-8-7-24-16/h1-6,9-11H,7-8H2,(H,22,23)
InChIKeyZPWUMOCCPBUNND-UHFFFAOYSA-N
XLogP4.09
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one with MolForge

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Related Compounds

N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide
CID 134823958
N-pyridin-3-yl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877944
N-phenyl-5-(7-piperidin-4-yloxyisoquinolin-6-yl)thiophene-2-carboxamide
CID 44526918
3-((4-(Aminomethyl)pyridin-2-yl)oxy)-N-(benzo[b]thiophen-2-ylmethyl)benzamide hydrochloride
CID 122516222
7-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 154571991
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 3250273
1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-propyl]-pyridinium
CID 10387306
9-methyl-N-(3-pyridyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877802
5-(5-(((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418226
7-(4-fluoro-2-methoxyphenyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56677280
7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56683912
(E)-1-[3-Methoxy-4-(pyridin-4-ylmethoxy)-phenyl]-3-(2-methoxy-5-thiophen-2-yl-phenyl)-propenone
CID 22025578

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one (CID 53380599) is 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is O=c1[nH]cc(-c2ccc3c(c2)OCCO3)c2sc(-c3ccncc3)cc12.
What is the InChIKey of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is ZPWUMOCCPBUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3S/c23-20-14-10-18(12-3-5-21-6-4-12)26-19(14)15(11-22-20)13-1-2-16-17(9-13)25-8-7-24-16/h1-6,9-11H,7-8H2,(H,22,23).
What are the key properties of 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one?
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 362.41 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 53380599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).