(E)-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 59934280

IUPAC(E)-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
SMILESO=C(/C=C/c1ccoc1)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/b2-1+
InChIKeyVUHCPZSFMSCALQ-OWOJBTEDSA-N
MW336.42 g/mol
LogP3.92
Rot. Bonds3

About (E)-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

(E)-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 59934280) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (E)-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 Name(E)-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 CID59934280
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(E)-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
SMILESO=C(/C=C/c1ccoc1)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/b2-1+
InChIKeyVUHCPZSFMSCALQ-OWOJBTEDSA-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'}

Analyze (E)-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 with MolForge

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Launch Full Analysis

Related Compounds

5-(4-Methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one
CID 10571452
15-(Furan-3-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291331
7-(6-ethoxy-3-pyridinyl)-2-pyridin-4-yl-5H-thieno[3,2-c]pyridin-4-one
CID 56683912
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211264
1-[(6-Methoxypyridin-3-YL)methyl]-4-(thiophene-3-carbonyl)piperazine
CID 53185117
(4aS*,7aR*)-1-(3-furylmethyl)-4-(4-pyridinylmethyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70724648
N-(pyridin-3-ylmethyl)-N-(2-(thiophen-2-yl)ethyl)furan-2-carboxamide
CID 71781276
1-[(6-Ethoxypyridin-3-YL)methyl]-4-(thiophene-2-carbonyl)piperazine
CID 53185163

Frequently Asked Questions

What is the IUPAC name of (E)-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 (E)-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 59934280) is (E)-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 (E)-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 (E)-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=C/c1ccoc1)N1CCc2sccc2C1c1ccncc1.
What is the InChIKey of (E)-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-OWOJBTEDSA-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/b2-1+.
What are the key properties of (E)-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?
(E)-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 (E)-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 59934280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).