7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C17H9F2N3OS — CID 137429816

IUPAC7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(-c3cc(F)cc(F)c3)csc12
InChIInChI=1S/C17H9F2N3OS/c18-10-5-9(6-11(19)7-10)12-8-24-15-14(12)21-16(22-17(15)23)13-3-1-2-4-20-13/h1-8H,(H,21,22,23)
InChIKeyKDYABNHVFVMIPD-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.99
Rot. Bonds2

About 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429816) has the molecular formula C17H9F2N3OS and a molecular weight of 341.34 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429816
Molecular FormulaC17H9F2N3OS
Molecular Weight341.34 g/mol
Exact Mass341.04
IUPAC Name7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(-c3cc(F)cc(F)c3)csc12
InChIInChI=1S/C17H9F2N3OS/c18-10-5-9(6-11(19)7-10)12-8-24-15-14(12)21-16(22-17(15)23)13-3-1-2-4-20-13/h1-8H,(H,21,22,23)
InChIKeyKDYABNHVFVMIPD-UHFFFAOYSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429816) is 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c(-c3cc(F)cc(F)c3)csc12.
What is the InChIKey of 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KDYABNHVFVMIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3OS/c18-10-5-9(6-11(19)7-10)12-8-24-15-14(12)21-16(22-17(15)23)13-3-1-2-4-20-13/h1-8H,(H,21,22,23).
What are the key properties of 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 341.34 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).