1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione

C24H23NO2S2 — CID 17471326

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
SMILESO=C(CCC(=O)N1CCc2sccc2C1c1cccs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H23NO2S2/c26-20(18-7-6-16-3-1-4-17(16)15-18)8-9-23(27)25-12-10-21-19(11-14-29-21)24(25)22-5-2-13-28-22/h2,5-7,11,13-15,24H,1,3-4,8-10,12H2
InChIKeyFOBCVFZCHGYIFK-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.44
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione

1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione (PubChem CID 17471326) has the molecular formula C24H23NO2S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
PubChem CID17471326
Molecular FormulaC24H23NO2S2
Molecular Weight421.59 g/mol
Exact Mass421.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
SMILESO=C(CCC(=O)N1CCc2sccc2C1c1cccs1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H23NO2S2/c26-20(18-7-6-16-3-1-4-17(16)15-18)8-9-23(27)25-12-10-21-19(11-14-29-21)24(25)22-5-2-13-28-22/h2,5-7,11,13-15,24H,1,3-4,8-10,12H2
InChIKeyFOBCVFZCHGYIFK-UHFFFAOYSA-N
XLogP5.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione with MolForge

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Related Compounds

1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
CID 9075375
2-(4-acetyl-2-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41113066
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
2-naphthalen-2-yloxy-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074657
3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 40797413
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
2-[methyl-[2-oxo-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]amino]-N-propan-2-ylacetamide
CID 24567907
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47015675

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione (CID 17471326) is 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione is O=C(CCC(=O)N1CCc2sccc2C1c1cccs1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione?
The InChIKey is FOBCVFZCHGYIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S2/c26-20(18-7-6-16-3-1-4-17(16)15-18)8-9-23(27)25-12-10-21-19(11-14-29-21)24(25)22-5-2-13-28-22/h2,5-7,11,13-15,24H,1,3-4,8-10,12H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione?
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione has a molecular weight of 421.59 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-4-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione is sourced from PubChem (CID 17471326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).