3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C23H17N3O3S2 — CID 42920440

IUPAC3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C23H17N3O3S2/c27-19(26-9-7-17-15(8-11-31-17)21(26)18-6-3-10-30-18)12-25-13-24-20-14-4-1-2-5-16(14)29-22(20)23(25)28/h1-6,8,10-11,13,21H,7,9,12H2
InChIKeyVBJPQPXYPGXDNQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.44
Rot. Bonds3

About 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 42920440) has the molecular formula C23H17N3O3S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID42920440
Molecular FormulaC23H17N3O3S2
Molecular Weight447.54 g/mol
Exact Mass447.07
IUPAC Name3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCc2sccc2C1c1cccs1
InChIInChI=1S/C23H17N3O3S2/c27-19(26-9-7-17-15(8-11-31-17)21(26)18-6-3-10-30-18)12-25-13-24-20-14-4-1-2-5-16(14)29-22(20)23(25)28/h1-6,8,10-11,13,21H,7,9,12H2
InChIKeyVBJPQPXYPGXDNQ-UHFFFAOYSA-N
XLogP4.44
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 42920440) is 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCc2sccc2C1c1cccs1.
What is the InChIKey of 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is VBJPQPXYPGXDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S2/c27-19(26-9-7-17-15(8-11-31-17)21(26)18-6-3-10-30-18)12-25-13-24-20-14-4-1-2-5-16(14)29-22(20)23(25)28/h1-6,8,10-11,13,21H,7,9,12H2.
What are the key properties of 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 447.54 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 42920440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).