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

C23H20FN5O2S — CID 137429582

IUPAC7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H20FN5O2S/c24-15-6-4-14(5-7-15)11-16-12-29(10-9-25-16)23(31)17-13-32-20-19(17)27-21(28-22(20)30)18-3-1-2-8-26-18/h1-8,13,16,25H,9-12H2,(H,27,28,30)
InChIKeyXFIFHWHRPPFPKS-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.84
Rot. Bonds4

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

7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429582) has the molecular formula C23H20FN5O2S and a molecular weight of 449.51 g/mol. Its IUPAC name is 7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429582
Molecular FormulaC23H20FN5O2S
Molecular Weight449.51 g/mol
Exact Mass449.13
IUPAC Name7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C23H20FN5O2S/c24-15-6-4-14(5-7-15)11-16-12-29(10-9-25-16)23(31)17-13-32-20-19(17)27-21(28-22(20)30)18-3-1-2-8-26-18/h1-8,13,16,25H,9-12H2,(H,27,28,30)
InChIKeyXFIFHWHRPPFPKS-UHFFFAOYSA-N
XLogP2.84
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[3-[(4-fluorophenyl)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-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429582) is 7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is XFIFHWHRPPFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S/c24-15-6-4-14(5-7-15)11-16-12-29(10-9-25-16)23(31)17-13-32-20-19(17)27-21(28-22(20)30)18-3-1-2-8-26-18/h1-8,13,16,25H,9-12H2,(H,27,28,30).
What are the key properties of 7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[3-[(4-fluorophenyl)methyl]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 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).