4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide

C18H13FN6O2 — CID 44610994

IUPAC4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Nc2ncc(F)c(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C18H13FN6O2/c19-13-9-21-18(22-12-6-4-11(5-7-12)17(26)24-27)23-16(13)14-10-20-15-3-1-2-8-25(14)15/h1-10,27H,(H,24,26)(H,21,22,23)
InChIKeyKAAFMWRALVXNBT-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.79
Rot. Bonds4

About 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide

4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide (PubChem CID 44610994) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide
PubChem CID44610994
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Nc2ncc(F)c(-c3cnc4ccccn34)n2)cc1
InChIInChI=1S/C18H13FN6O2/c19-13-9-21-18(22-12-6-4-11(5-7-12)17(26)24-27)23-16(13)14-10-20-15-3-1-2-8-25(14)15/h1-10,27H,(H,24,26)(H,21,22,23)
InChIKeyKAAFMWRALVXNBT-UHFFFAOYSA-N
XLogP2.79
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide?
The IUPAC name of 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide (CID 44610994) is 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide?
The canonical SMILES for 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide is O=C(NO)c1ccc(Nc2ncc(F)c(-c3cnc4ccccn34)n2)cc1.
What is the InChIKey of 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide?
The InChIKey is KAAFMWRALVXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-13-9-21-18(22-12-6-4-11(5-7-12)17(26)24-27)23-16(13)14-10-20-15-3-1-2-8-25(14)15/h1-10,27H,(H,24,26)(H,21,22,23).
What are the key properties of 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide?
4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide has a molecular weight of 364.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-hydroxybenzamide is sourced from PubChem (CID 44610994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).