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

C18H10F3N3O2S — CID 137429667

IUPAC7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(-c3cc(F)ccc3OC(F)F)csc12
InChIInChI=1S/C18H10F3N3O2S/c19-9-4-5-13(26-18(20)21)10(7-9)11-8-27-15-14(11)23-16(24-17(15)25)12-3-1-2-6-22-12/h1-8,18H,(H,23,24,25)
InChIKeyTWLVWAJBNHFUET-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.45
Rot. Bonds4

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

7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429667) has the molecular formula C18H10F3N3O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429667
Molecular FormulaC18H10F3N3O2S
Molecular Weight389.36 g/mol
Exact Mass389.04
IUPAC Name7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2c(-c3cc(F)ccc3OC(F)F)csc12
InChIInChI=1S/C18H10F3N3O2S/c19-9-4-5-13(26-18(20)21)10(7-9)11-8-27-15-14(11)23-16(24-17(15)25)12-3-1-2-6-22-12/h1-8,18H,(H,23,24,25)
InChIKeyTWLVWAJBNHFUET-UHFFFAOYSA-N
XLogP4.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429667) is 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2c(-c3cc(F)ccc3OC(F)F)csc12.
What is the InChIKey of 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is TWLVWAJBNHFUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N3O2S/c19-9-4-5-13(26-18(20)21)10(7-9)11-8-27-15-14(11)23-16(24-17(15)25)12-3-1-2-6-22-12/h1-8,18H,(H,23,24,25).
What are the key properties of 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 389.36 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(difluoromethoxy)-5-fluorophenyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).