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

C24H23N5O3S — CID 137429421

IUPAC7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(CN2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1
InChIInChI=1S/C24H23N5O3S/c1-32-17-6-4-5-16(13-17)14-28-9-11-29(12-10-28)24(31)18-15-33-21-20(18)26-22(27-23(21)30)19-7-2-3-8-25-19/h2-8,13,15H,9-12,14H2,1H3,(H,26,27,30)
InChIKeyXWRBTZBCSZFQMI-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.01
Rot. Bonds5

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

7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429421) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429421
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(CN2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1
InChIInChI=1S/C24H23N5O3S/c1-32-17-6-4-5-16(13-17)14-28-9-11-29(12-10-28)24(31)18-15-33-21-20(18)26-22(27-23(21)30)19-7-2-3-8-25-19/h2-8,13,15H,9-12,14H2,1H3,(H,26,27,30)
InChIKeyXWRBTZBCSZFQMI-UHFFFAOYSA-N
XLogP3.01
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-[(3-methoxyphenyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429421) is 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is COc1cccc(CN2CCN(C(=O)c3csc4c(=O)[nH]c(-c5ccccn5)nc34)CC2)c1.
What is the InChIKey of 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XWRBTZBCSZFQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-32-17-6-4-5-16(13-17)14-28-9-11-29(12-10-28)24(31)18-15-33-21-20(18)26-22(27-23(21)30)19-7-2-3-8-25-19/h2-8,13,15H,9-12,14H2,1H3,(H,26,27,30).
What are the key properties of 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 461.55 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).