6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one

C13H10FN5O — CID 134605512

IUPAC6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one
SMILESO=c1cccc(Nc2cn(-c3cncc(F)c3)cn2)[nH]1
InChIInChI=1S/C13H10FN5O/c14-9-4-10(6-15-5-9)19-7-12(16-8-19)17-11-2-1-3-13(20)18-11/h1-8H,(H2,17,18,20)
InChIKeyBHJCJXWPILGIKI-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.84
Rot. Bonds3

About 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one

6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one (PubChem CID 134605512) has the molecular formula C13H10FN5O and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one
PubChem CID134605512
Molecular FormulaC13H10FN5O
Molecular Weight271.25 g/mol
Exact Mass271.09
IUPAC Name6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one
SMILESO=c1cccc(Nc2cn(-c3cncc(F)c3)cn2)[nH]1
InChIInChI=1S/C13H10FN5O/c14-9-4-10(6-15-5-9)19-7-12(16-8-19)17-11-2-1-3-13(20)18-11/h1-8H,(H2,17,18,20)
InChIKeyBHJCJXWPILGIKI-UHFFFAOYSA-N
XLogP1.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one (CID 134605512) is 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one is O=c1cccc(Nc2cn(-c3cncc(F)c3)cn2)[nH]1.
What is the InChIKey of 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one?
The InChIKey is BHJCJXWPILGIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c14-9-4-10(6-15-5-9)19-7-12(16-8-19)17-11-2-1-3-13(20)18-11/h1-8H,(H2,17,18,20).
What are the key properties of 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one?
6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one has a molecular weight of 271.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(5-fluoro-3-pyridinyl)imidazol-4-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 134605512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).