2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal

C23H20N2O4S — CID 166764674

IUPAC2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal
SMILESC=C(C=O)Cn1ccc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21
InChIInChI=1S/C23H20N2O4S/c1-15(13-26)12-25-5-4-16-2-3-17(10-19(16)25)18-14-30-23-20(27)11-21(29-22(18)23)24-6-8-28-9-7-24/h2-5,10-11,13-14H,1,6-9,12H2
InChIKeyDOGNCNFLWHBWPA-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.07
Rot. Bonds5

About 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal

2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal (PubChem CID 166764674) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal.

Molecular Properties

Compound Name2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal
PubChem CID166764674
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC Name2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal
SMILESC=C(C=O)Cn1ccc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21
InChIInChI=1S/C23H20N2O4S/c1-15(13-26)12-25-5-4-16-2-3-17(10-19(16)25)18-14-30-23-20(27)11-21(29-22(18)23)24-6-8-28-9-7-24/h2-5,10-11,13-14H,1,6-9,12H2
InChIKeyDOGNCNFLWHBWPA-UHFFFAOYSA-N
XLogP4.07
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(ethenylsulfanylamino)phenyl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 153397307
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
3-(1-but-2-ynoylindazol-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146320030
N-hydroxy-4-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)benzamide
CID 118547301
ethane;5-morpholin-4-yl-3-(3-propanoylphenyl)thieno[3,2-b]pyran-7-one
CID 142505751
5-morpholin-4-yl-3-[4-(5-oxohept-6-enyl)phenyl]thieno[3,2-b]pyran-7-one
CID 157029185
5-morpholin-4-yl-3-(4-prop-2-enoyl-2,3-dihydro-1H-quinoxalin-6-yl)thieno[3,2-b]pyran-7-one
CID 146320011
3-(4-but-2-ynoyl-1-methyl-2,3-dihydroquinoxalin-6-yl)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319968
5-morpholin-4-yl-3-(1H-pyrazol-5-yl)thieno[3,2-b]pyran-7-one
CID 118547303
5-morpholin-4-yl-3-[4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]thieno[3,2-b]pyran-7-one
CID 158740173
2-chloro-2-fluoro-N-[3-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)phenyl]acetamide
CID 146320046
3-[4-(cyclopentene-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 146319979

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal?
The IUPAC name of 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal (CID 166764674) is 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal.
What is the SMILES notation for 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal?
The canonical SMILES for 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal is C=C(C=O)Cn1ccc2ccc(-c3csc4c(=O)cc(N5CCOCC5)oc34)cc21.
What is the InChIKey of 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal?
The InChIKey is DOGNCNFLWHBWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-15(13-26)12-25-5-4-16-2-3-17(10-19(16)25)18-14-30-23-20(27)11-21(29-22(18)23)24-6-8-28-9-7-24/h2-5,10-11,13-14H,1,6-9,12H2.
What are the key properties of 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal?
2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal has a molecular weight of 420.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-morpholin-4-yl-7-oxothieno[3,2-b]pyran-3-yl)indol-1-yl]methyl]prop-2-enal is sourced from PubChem (CID 166764674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).