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

C19H16N2O2S — CID 70219333

IUPAC3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccoc1)N1CCc2sccc2C1c1ccncc1
InChIInChI=1S/C19H16N2O2S/c22-18(2-1-14-6-11-23-13-14)21-10-5-17-16(7-12-24-17)19(21)15-3-8-20-9-4-15/h1-4,6-9,11-13,19H,5,10H2
InChIKeyVUHCPZSFMSCALQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.92
Rot. Bonds3

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

3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one (PubChem CID 70219333) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one
PubChem CID70219333
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccoc1)N1CCc2sccc2C1c1ccncc1
InChIInChI=1S/C19H16N2O2S/c22-18(2-1-14-6-11-23-13-14)21-10-5-17-16(7-12-24-17)19(21)15-3-8-20-9-4-15/h1-4,6-9,11-13,19H,5,10H2
InChIKeyVUHCPZSFMSCALQ-UHFFFAOYSA-N
XLogP3.92
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one?
The IUPAC name of 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one (CID 70219333) is 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one?
The canonical SMILES for 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one is O=C(C=Cc1ccoc1)N1CCc2sccc2C1c1ccncc1.
What is the InChIKey of 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one?
The InChIKey is VUHCPZSFMSCALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(2-1-14-6-11-23-13-14)21-10-5-17-16(7-12-24-17)19(21)15-3-8-20-9-4-15/h1-4,6-9,11-13,19H,5,10H2.
What are the key properties of 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one?
3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one has a molecular weight of 336.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-1-(4-pyridin-4-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)prop-2-en-1-one is sourced from PubChem (CID 70219333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).