3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one

C24H28N4O2S — CID 110244654

IUPAC3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2ncn(C3CCCN(CC(=O)N4CCc5ccccc54)C3)c(=O)c12
InChIInChI=1S/C24H28N4O2S/c1-3-19-16(2)31-23-22(19)24(30)28(15-25-23)18-8-6-11-26(13-18)14-21(29)27-12-10-17-7-4-5-9-20(17)27/h4-5,7,9,15,18H,3,6,8,10-14H2,1-2H3
InChIKeyKHYDRNYOKOHHDN-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.56
Rot. Bonds4

About 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one

3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 110244654) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID110244654
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2ncn(C3CCCN(CC(=O)N4CCc5ccccc54)C3)c(=O)c12
InChIInChI=1S/C24H28N4O2S/c1-3-19-16(2)31-23-22(19)24(30)28(15-25-23)18-8-6-11-26(13-18)14-21(29)27-12-10-17-7-4-5-9-20(17)27/h4-5,7,9,15,18H,3,6,8,10-14H2,1-2H3
InChIKeyKHYDRNYOKOHHDN-UHFFFAOYSA-N
XLogP3.56
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one 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

5-ethyl-6-methyl-3-[1-(2-thiophen-3-ylacetyl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-one
CID 46959640
3-[(3S)-1-(1,2-dimethylbenzimidazole-5-carbonyl)piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 95808113
1-(2,3-dihydroindol-1-yl)-2-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61204032
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7939691
5-ethyl-6-methyl-3-[1-[3-(5-methylfuran-2-yl)propanoyl]piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
CID 46959409
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60645184
1-(2,3-dihydroindol-1-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 129402938
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 163354238

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one (CID 110244654) is 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one is CCc1c(C)sc2ncn(C3CCCN(CC(=O)N4CCc5ccccc54)C3)c(=O)c12.
What is the InChIKey of 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KHYDRNYOKOHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-3-19-16(2)31-23-22(19)24(30)28(15-25-23)18-8-6-11-26(13-18)14-21(29)27-12-10-17-7-4-5-9-20(17)27/h4-5,7,9,15,18H,3,6,8,10-14H2,1-2H3.
What are the key properties of 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one?
3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 436.58 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-3-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 110244654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).