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

C20H22N2OS — CID 9002065

IUPAC2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCc2sccc2[C@H]1C1CC1)N1CCc2ccccc21
InChIInChI=1S/C20H22N2OS/c23-19(22-11-7-14-3-1-2-4-17(14)22)13-21-10-8-18-16(9-12-24-18)20(21)15-5-6-15/h1-4,9,12,15,20H,5-8,10-11,13H2/t20-/m1/s1
InChIKeyGLZRQLMKOJFGHY-HXUWFJFHSA-N
MW338.48 g/mol
LogP3.65
Rot. Bonds3

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

2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 9002065) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID9002065
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCc2sccc2[C@H]1C1CC1)N1CCc2ccccc21
InChIInChI=1S/C20H22N2OS/c23-19(22-11-7-14-3-1-2-4-17(14)22)13-21-10-8-18-16(9-12-24-18)20(21)15-5-6-15/h1-4,9,12,15,20H,5-8,10-11,13H2/t20-/m1/s1
InChIKeyGLZRQLMKOJFGHY-HXUWFJFHSA-N
XLogP3.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46615492
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2,6-dichlorophenyl)acetamide
CID 9002193
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 100886480
N-cyclopentyl-2-[[2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzamide
CID 9002644
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-(4-cyclopropyl-2-methylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 162628448
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
N-(5-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9002705
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 95321191
2-[(4S)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 9002999

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 9002065) is 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CN1CCc2sccc2[C@H]1C1CC1)N1CCc2ccccc21.
What is the InChIKey of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is GLZRQLMKOJFGHY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22N2OS/c23-19(22-11-7-14-3-1-2-4-17(14)22)13-21-10-8-18-16(9-12-24-18)20(21)15-5-6-15/h1-4,9,12,15,20H,5-8,10-11,13H2/t20-/m1/s1.
What are the key properties of 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 338.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 9002065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).