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

C24H22F2N6O3S — CID 24936971

IUPAC1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4cc(F)ncc4OCCO)c3s2)n1
InChIInChI=1S/C24H22F2N6O3S/c25-17-12-30-23(27-4-6-32-7-5-28-24(32)34)31-21(17)19-10-14-2-1-3-15(22(14)36-19)16-11-20(26)29-13-18(16)35-9-8-33/h1-3,10-13,33H,4-9H2,(H,28,34)(H,27,30,31)
InChIKeyCUHKVGINWUYOIB-UHFFFAOYSA-N
MW512.54 g/mol
LogP3.51
Rot. Bonds9

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

1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 24936971) has the molecular formula C24H22F2N6O3S and a molecular weight of 512.54 g/mol. Its IUPAC name is 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID24936971
Molecular FormulaC24H22F2N6O3S
Molecular Weight512.54 g/mol
Exact Mass512.14
IUPAC Name1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4cc(F)ncc4OCCO)c3s2)n1
InChIInChI=1S/C24H22F2N6O3S/c25-17-12-30-23(27-4-6-32-7-5-28-24(32)34)31-21(17)19-10-14-2-1-3-15(22(14)36-19)16-11-20(26)29-13-18(16)35-9-8-33/h1-3,10-13,33H,4-9H2,(H,28,34)(H,27,30,31)
InChIKeyCUHKVGINWUYOIB-UHFFFAOYSA-N
XLogP3.51
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.54
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (CID 24936971) is 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-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-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCNc1ncc(F)c(-c2cc3cccc(-c4cc(F)ncc4OCCO)c3s2)n1.
What is the InChIKey of 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is CUHKVGINWUYOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O3S/c25-17-12-30-23(27-4-6-32-7-5-28-24(32)34)31-21(17)19-10-14-2-1-3-15(22(14)36-19)16-11-20(26)29-13-18(16)35-9-8-33/h1-3,10-13,33H,4-9H2,(H,28,34)(H,27,30,31).
What are the key properties of 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 512.54 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-fluoro-4-[7-[2-fluoro-5-(2-hydroxyethoxy)-4-pyridinyl]-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 24936971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).