7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C18H13FN4OS — CID 158566671

IUPAC7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(F)c1cncc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C18H13FN4OS/c1-10(19)11-6-12(8-20-7-11)13-9-25-16-15(13)22-17(23-18(16)24)14-4-2-3-5-21-14/h2-10H,1H3,(H,22,23,24)
InChIKeyYELBBANNCZKQNG-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.14
Rot. Bonds3

About 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 158566671) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID158566671
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC Name7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(F)c1cncc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1
InChIInChI=1S/C18H13FN4OS/c1-10(19)11-6-12(8-20-7-11)13-9-25-16-15(13)22-17(23-18(16)24)14-4-2-3-5-21-14/h2-10H,1H3,(H,22,23,24)
InChIKeyYELBBANNCZKQNG-UHFFFAOYSA-N
XLogP4.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 158566671) is 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is CC(F)c1cncc(-c2csc3c(=O)[nH]c(-c4ccccn4)nc23)c1.
What is the InChIKey of 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YELBBANNCZKQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-10(19)11-6-12(8-20-7-11)13-9-25-16-15(13)22-17(23-18(16)24)14-4-2-3-5-21-14/h2-10H,1H3,(H,22,23,24).
What are the key properties of 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 352.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(1-fluoroethyl)-3-pyridinyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 158566671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).