6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one

C23H19ClN4O3S — CID 16718611

IUPAC6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(COc1ccc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cn1)N1CCCC1
InChIInChI=1S/C23H19ClN4O3S/c24-16-5-3-15(4-6-16)19-11-18-22(32-19)23(30)28(14-26-18)17-7-8-20(25-12-17)31-13-21(29)27-9-1-2-10-27/h3-8,11-12,14H,1-2,9-10,13H2
InChIKeyUFZFJWWWNZLVMC-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.16
Rot. Bonds5

About 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 16718611) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID16718611
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC Name6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(COc1ccc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cn1)N1CCCC1
InChIInChI=1S/C23H19ClN4O3S/c24-16-5-3-15(4-6-16)19-11-18-22(32-19)23(30)28(14-26-18)17-7-8-20(25-12-17)31-13-21(29)27-9-1-2-10-27/h3-8,11-12,14H,1-2,9-10,13H2
InChIKeyUFZFJWWWNZLVMC-UHFFFAOYSA-N
XLogP4.16
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one (CID 16718611) is 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one is O=C(COc1ccc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)cn1)N1CCCC1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is UFZFJWWWNZLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c24-16-5-3-15(4-6-16)19-11-18-22(32-19)23(30)28(14-26-18)17-7-8-20(25-12-17)31-13-21(29)27-9-1-2-10-27/h3-8,11-12,14H,1-2,9-10,13H2.
What are the key properties of 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 466.95 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[6-(2-oxo-2-pyrrolidin-1-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 16718611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).