1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

C22H19FN6O2S — CID 24937885

IUPAC1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4ccncc4O)c3s2)n1
InChIInChI=1S/C22H19FN6O2S/c23-16-11-27-21(25-6-8-29-9-7-26-22(29)31)28-19(16)18-10-13-2-1-3-15(20(13)32-18)14-4-5-24-12-17(14)30/h1-5,10-12,30H,6-9H2,(H,26,31)(H,25,27,28)
InChIKeyWZLVUMHSYHZLKS-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.70
Rot. Bonds6

About 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one

1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 24937885) has the molecular formula C22H19FN6O2S and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID24937885
Molecular FormulaC22H19FN6O2S
Molecular Weight450.50 g/mol
Exact Mass450.13
IUPAC Name1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4ccncc4O)c3s2)n1
InChIInChI=1S/C22H19FN6O2S/c23-16-11-27-21(25-6-8-29-9-7-26-22(29)31)28-19(16)18-10-13-2-1-3-15(20(13)32-18)14-4-5-24-12-17(14)30/h1-5,10-12,30H,6-9H2,(H,26,31)(H,25,27,28)
InChIKeyWZLVUMHSYHZLKS-UHFFFAOYSA-N
XLogP3.70
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (CID 24937885) is 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4ccncc4O)c3s2)n1.
What is the InChIKey of 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is WZLVUMHSYHZLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2S/c23-16-11-27-21(25-6-8-29-9-7-26-22(29)31)28-19(16)18-10-13-2-1-3-15(20(13)32-18)14-4-5-24-12-17(14)30/h1-5,10-12,30H,6-9H2,(H,26,31)(H,25,27,28).
What are the key properties of 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 450.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-fluoro-4-[7-(3-hydroxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 24937885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).