7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C23H20FN5O2S — CID 159908992

IUPAC7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(F)c1
InChIInChI=1S/C23H20FN5O2S/c1-14-5-6-18(16(24)12-14)28-8-10-29(11-9-28)23(31)15-13-32-20-19(15)26-21(27-22(20)30)17-4-2-3-7-25-17/h2-7,12-13H,8-11H2,1H3,(H,26,27,30)
InChIKeyWAQKPHIDDJMGME-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.46
Rot. Bonds3

About 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159908992) has the molecular formula C23H20FN5O2S and a molecular weight of 449.51 g/mol. Its IUPAC name is 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID159908992
Molecular FormulaC23H20FN5O2S
Molecular Weight449.51 g/mol
Exact Mass449.13
IUPAC Name7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(F)c1
InChIInChI=1S/C23H20FN5O2S/c1-14-5-6-18(16(24)12-14)28-8-10-29(11-9-28)23(31)15-13-32-20-19(15)26-21(27-22(20)30)17-4-2-3-7-25-17/h2-7,12-13H,8-11H2,1H3,(H,26,27,30)
InChIKeyWAQKPHIDDJMGME-UHFFFAOYSA-N
XLogP3.46
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-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

7-[4-(2-methoxy-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 162000609
7-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 159869922
7-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429778
7-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429613
2-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]acetaldehyde
CID 137429876
7-[2-(2-fluorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429579
3-[1-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)piperidin-4-yl]propanal
CID 142506495
7-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2-[5-[3-(4-oxo-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidine-7-carbonyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-2-pyridinyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137213623
7-[3-(3-chlorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429799
7-[2-(3-methoxyphenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429783
7-[2-(3-chlorophenyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137429791
7-(4-amino-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-(4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);2-pyridin-2-yl-7-(4-pyridin-3-ylpiperidine-1-carbonyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 167593890

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159908992) is 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1ccc(N2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c(F)c1.
What is the InChIKey of 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is WAQKPHIDDJMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S/c1-14-5-6-18(16(24)12-14)28-8-10-29(11-9-28)23(31)15-13-32-20-19(15)26-21(27-22(20)30)17-4-2-3-7-25-17/h2-7,12-13H,8-11H2,1H3,(H,26,27,30).
What are the key properties of 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 449.51 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-fluoro-4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159908992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).