1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone

C19H20N2OS — CID 51239349

IUPAC1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone
SMILESCCC1c2ccsc2CCN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2OS/c1-2-17-15-8-10-23-18(15)7-9-21(17)19(22)11-13-12-20-16-6-4-3-5-14(13)16/h3-6,8,10,12,17,20H,2,7,9,11H2,1H3
InChIKeyMJCKQAXTAXINLP-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.31
Rot. Bonds3

About 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 51239349) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID51239349
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone
SMILESCCC1c2ccsc2CCN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H20N2OS/c1-2-17-15-8-10-23-18(15)7-9-21(17)19(22)11-13-12-20-16-6-4-3-5-14(13)16/h3-6,8,10,12,17,20H,2,7,9,11H2,1H3
InChIKeyMJCKQAXTAXINLP-UHFFFAOYSA-N
XLogP4.31
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone
CID 112838579
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642
N-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 42886199
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 55608126
2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
CID 51925321
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78924222
(4-bromo-1H-pyrrol-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47124034
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-1-one
CID 55104231
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-thiophen-2-ylethanone
CID 115286639
5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696371

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone (CID 51239349) is 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone is CCC1c2ccsc2CCN1C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is MJCKQAXTAXINLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-2-17-15-8-10-23-18(15)7-9-21(17)19(22)11-13-12-20-16-6-4-3-5-14(13)16/h3-6,8,10,12,17,20H,2,7,9,11H2,1H3.
What are the key properties of 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone?
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 324.45 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 51239349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).