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

C18H18N2OS — CID 112838579

IUPAC(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C18H18N2OS/c1-2-16-14-8-11-22-17(14)7-10-20(16)18(21)13-4-3-5-15-12(13)6-9-19-15/h3-6,8-9,11,16,19H,2,7,10H2,1H3
InChIKeyTUHDWDOYJKMCKH-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.38
Rot. Bonds2

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

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone (PubChem CID 112838579) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone
PubChem CID112838579
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C18H18N2OS/c1-2-16-14-8-11-22-17(14)7-10-20(16)18(21)13-4-3-5-15-12(13)6-9-19-15/h3-6,8-9,11,16,19H,2,7,10H2,1H3
InChIKeyTUHDWDOYJKMCKH-UHFFFAOYSA-N
XLogP4.38
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone
CID 51239349
5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696371
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-fluorophenyl)methanone
CID 18093063
(5-bromo-2-methylphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 65309737
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
(4-bromo-1H-pyrrol-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47124034
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylpropan-1-one
CID 55104231

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone?
The IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone (CID 112838579) is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone.
What is the SMILES notation for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone?
The canonical SMILES for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone is CCC1c2ccsc2CCN1C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone?
The InChIKey is TUHDWDOYJKMCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-2-16-14-8-11-22-17(14)7-10-20(16)18(21)13-4-3-5-15-12(13)6-9-19-15/h3-6,8-9,11,16,19H,2,7,10H2,1H3.
What are the key properties of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone?
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone has a molecular weight of 310.42 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1H-indol-4-yl)methanone is sourced from PubChem (CID 112838579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).