7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C23H21N5O2S — CID 137429435

IUPAC7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC1CN(c2ccccc2)CCN1C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C23H21N5O2S/c1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,29)
InChIKeyMSYOPFMOXXPGEN-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.40
Rot. Bonds3

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

7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429435) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429435
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC Name7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC1CN(c2ccccc2)CCN1C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C23H21N5O2S/c1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,29)
InChIKeyMSYOPFMOXXPGEN-UHFFFAOYSA-N
XLogP3.40
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2-methyl-4-phenylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429435) is 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC1CN(c2ccccc2)CCN1C(=O)c1csc2c(=O)[nH]c(-c3ccccn3)nc12.
What is the InChIKey of 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MSYOPFMOXXPGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,29).
What are the key properties of 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 431.52 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-4-phenylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).