5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one

C25H30N6O3S — CID 3329389

IUPAC5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12
InChIInChI=1S/C25H30N6O3S/c1-17-6-9-29(10-7-17)20(32)15-31-16-27-23-21(24(31)33)18(2)22(35-23)25(34)30-13-11-28(12-14-30)19-5-3-4-8-26-19/h3-5,8,16-17H,6-7,9-15H2,1-2H3
InChIKeyQLIGNHFRBJARLG-UHFFFAOYSA-N
MW494.62 g/mol
LogP2.38
Rot. Bonds4

About 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one

5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 3329389) has the molecular formula C25H30N6O3S and a molecular weight of 494.62 g/mol. Its IUPAC name is 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID3329389
Molecular FormulaC25H30N6O3S
Molecular Weight494.62 g/mol
Exact Mass494.21
IUPAC Name5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12
InChIInChI=1S/C25H30N6O3S/c1-17-6-9-29(10-7-17)20(32)15-31-16-27-23-21(24(31)33)18(2)22(35-23)25(34)30-13-11-28(12-14-30)19-5-3-4-8-26-19/h3-5,8,16-17H,6-7,9-15H2,1-2H3
InChIKeyQLIGNHFRBJARLG-UHFFFAOYSA-N
XLogP2.38
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[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-methyl-6-(4-methylpiperidine-1-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 22330657
5,6-dimethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 18148182
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-[2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-methylthieno[2,3-d]pyrimidin-4-one
CID 25114882
cyclohexyl 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 1412596
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(3-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3604620
ethyl 2-[[5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate
CID 5203978
5,6-dimethyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 8576725
1-(3-benzyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 110498083
N,N-diethyl-2-[5-methyl-4-oxo-6-(4-phenylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide
CID 22330668
5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889105
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-6-(2-methylpiperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3526239
ethyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 35986456

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one (CID 3329389) is 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one is Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12.
What is the InChIKey of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QLIGNHFRBJARLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3S/c1-17-6-9-29(10-7-17)20(32)15-31-16-27-23-21(24(31)33)18(2)22(35-23)25(34)30-13-11-28(12-14-30)19-5-3-4-8-26-19/h3-5,8,16-17H,6-7,9-15H2,1-2H3.
What are the key properties of 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one?
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 494.62 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 3329389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).