3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C18H19N3O2S2 — CID 99844073

IUPAC3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)Cn1cnc2c(C)csc2c1=O
InChIInChI=1S/C18H19N3O2S2/c1-3-13-12-5-7-24-14(12)4-6-21(13)15(22)8-20-10-19-16-11(2)9-25-17(16)18(20)23/h5,7,9-10,13H,3-4,6,8H2,1-2H3/t13-/m1/s1
InChIKeyWEUWNXOLPCZXFY-CYBMUJFWSA-N
MW373.50 g/mol
LogP3.36
Rot. Bonds3

About 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 99844073) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID99844073
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)Cn1cnc2c(C)csc2c1=O
InChIInChI=1S/C18H19N3O2S2/c1-3-13-12-5-7-24-14(12)4-6-21(13)15(22)8-20-10-19-16-11(2)9-25-17(16)18(20)23/h5,7,9-10,13H,3-4,6,8H2,1-2H3/t13-/m1/s1
InChIKeyWEUWNXOLPCZXFY-CYBMUJFWSA-N
XLogP3.36
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-8-methylquinazolin-4-one
CID 51270851
ethyl 3-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 112805511
1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]imidazole-4,5-dicarbonitrile
CID 86794613
2-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 126766696
1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile
CID 136548222
5-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 112813066
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
3-[3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-4-methyl-1,3-thiazol-2-one
CID 56810240
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
2-[5-(4-chlorophenyl)tetrazol-2-yl]-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 78827910
(2R)-1-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119914171

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 99844073) is 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one is CC[C@@H]1c2ccsc2CCN1C(=O)Cn1cnc2c(C)csc2c1=O.
What is the InChIKey of 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is WEUWNXOLPCZXFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-3-13-12-5-7-24-14(12)4-6-21(13)15(22)8-20-10-19-16-11(2)9-25-17(16)18(20)23/h5,7,9-10,13H,3-4,6,8H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 373.50 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 99844073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).