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

C23H21FN6O2S — CID 24938007

IUPAC1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESCOc1cnccc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12
InChIInChI=1S/C23H21FN6O2S/c1-32-18-13-25-6-5-15(18)16-4-2-3-14-11-19(33-21(14)16)20-17(24)12-28-22(29-20)26-7-9-30-10-8-27-23(30)31/h2-6,11-13H,7-10H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyZPYNMFDPTTYDHM-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.01
Rot. Bonds7

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

1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (PubChem CID 24938007) has the molecular formula C23H21FN6O2S and a molecular weight of 464.53 g/mol. Its IUPAC name is 1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
PubChem CID24938007
Molecular FormulaC23H21FN6O2S
Molecular Weight464.53 g/mol
Exact Mass464.14
IUPAC Name1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one
SMILESCOc1cnccc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12
InChIInChI=1S/C23H21FN6O2S/c1-32-18-13-25-6-5-15(18)16-4-2-3-14-11-19(33-21(14)16)20-17(24)12-28-22(29-20)26-7-9-30-10-8-27-23(30)31/h2-6,11-13H,7-10H2,1H3,(H,27,31)(H,26,28,29)
InChIKeyZPYNMFDPTTYDHM-UHFFFAOYSA-N
XLogP4.01
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-fluoro-4-[7-(3-methoxy-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-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one (CID 24938007) is 1-[2-[[5-fluoro-4-[7-(3-methoxy-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-methoxy-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-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is COc1cnccc1-c1cccc2cc(-c3nc(NCCN4CCNC4=O)ncc3F)sc12.
What is the InChIKey of 1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
The InChIKey is ZPYNMFDPTTYDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2S/c1-32-18-13-25-6-5-15(18)16-4-2-3-14-11-19(33-21(14)16)20-17(24)12-28-22(29-20)26-7-9-30-10-8-27-23(30)31/h2-6,11-13H,7-10H2,1H3,(H,27,31)(H,26,28,29).
What are the key properties of 1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one?
1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one has a molecular weight of 464.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-fluoro-4-[7-(3-methoxy-4-pyridinyl)-1-benzothiophen-2-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 24938007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).