1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone

C17H15N3O2S — CID 2079516

IUPAC1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COc1ncnc2sccc12
InChIInChI=1S/C17H15N3O2S/c1-11-8-12-4-2-3-5-14(12)20(11)15(21)9-22-16-13-6-7-23-17(13)19-10-18-16/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1
InChIKeySZWQQVLDJAKLMD-LLVKDONJSA-N
MW325.39 g/mol
LogP3.05
Rot. Bonds3

About 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone (PubChem CID 2079516) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
PubChem CID2079516
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
SMILESC[C@@H]1Cc2ccccc2N1C(=O)COc1ncnc2sccc12
InChIInChI=1S/C17H15N3O2S/c1-11-8-12-4-2-3-5-14(12)20(11)15(21)9-22-16-13-6-7-23-17(13)19-10-18-16/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1
InChIKeySZWQQVLDJAKLMD-LLVKDONJSA-N
XLogP3.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone 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

1-(2-methyl-2,3-dihydroindol-1-yl)-2-quinazolin-4-yloxyethanone
CID 5000915
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 84602146
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenoxy)ethanone
CID 19798381
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
2-(4-aminophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 61027527
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-hydroxybenzoate
CID 7485166
N-[2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7867316
2-(4-chloro-3,5-dimethylphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 903888
2-(4-chloro-3,5-dimethylphenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 5076814
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2493360

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone (CID 2079516) is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The canonical SMILES for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone is C[C@@H]1Cc2ccccc2N1C(=O)COc1ncnc2sccc12.
What is the InChIKey of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The InChIKey is SZWQQVLDJAKLMD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-11-8-12-4-2-3-5-14(12)20(11)15(21)9-22-16-13-6-7-23-17(13)19-10-18-16/h2-7,10-11H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone has a molecular weight of 325.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone is sourced from PubChem (CID 2079516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).