3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane

C43H32BBr3F4N6O4 — CID 159168014

IUPAC3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane
SMILESBrB(Br)Br.COc1c(F)cc(C(=O)Nc2ccc(-c3cn4cc(C)ccc4n3)cc2)cc1F.Cc1ccc2nc(-c3ccc(NC(=O)c4cc(F)c(O)c(F)c4)cc3)cn2c1
InChIInChI=1S/C22H17F2N3O2.C21H15F2N3O2.BBr3/c1-13-3-8-20-26-19(12-27(20)11-13)14-4-6-16(7-5-14)25-22(28)15-9-17(23)21(29-2)18(24)10-15;1-12-2-7-19-25-18(11-26(19)10-12)13-3-5-15(6-4-13)24-21(28)14-8-16(22)20(27)17(23)9-14;2-1(3)4/h3-12H,1-2H3,(H,25,28);2-11,27H,1H3,(H,24,28);
InChIKeyKLIAHDGXFFLVDG-UHFFFAOYSA-N
MW1023.28 g/mol
LogP11.55
Rot. Bonds7

About 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane

3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane (PubChem CID 159168014) has the molecular formula C43H32BBr3F4N6O4 and a molecular weight of 1023.28 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane
PubChem CID159168014
Molecular FormulaC43H32BBr3F4N6O4
Molecular Weight1023.28 g/mol
Exact Mass1020.01
IUPAC Name3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane
SMILESBrB(Br)Br.COc1c(F)cc(C(=O)Nc2ccc(-c3cn4cc(C)ccc4n3)cc2)cc1F.Cc1ccc2nc(-c3ccc(NC(=O)c4cc(F)c(O)c(F)c4)cc3)cn2c1
InChIInChI=1S/C22H17F2N3O2.C21H15F2N3O2.BBr3/c1-13-3-8-20-26-19(12-27(20)11-13)14-4-6-16(7-5-14)25-22(28)15-9-17(23)21(29-2)18(24)10-15;1-12-2-7-19-25-18(11-26(19)10-12)13-3-5-15(6-4-13)24-21(28)14-8-16(22)20(27)17(23)9-14;2-1(3)4/h3-12H,1-2H3,(H,25,28);2-11,27H,1H3,(H,24,28);
InChIKeyKLIAHDGXFFLVDG-UHFFFAOYSA-N
XLogP11.55
TPSA122.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.28
LogP ≤ 511.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane (CID 159168014) is 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane is BrB(Br)Br.COc1c(F)cc(C(=O)Nc2ccc(-c3cn4cc(C)ccc4n3)cc2)cc1F.Cc1ccc2nc(-c3ccc(NC(=O)c4cc(F)c(O)c(F)c4)cc3)cn2c1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane?
The InChIKey is KLIAHDGXFFLVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2.C21H15F2N3O2.BBr3/c1-13-3-8-20-26-19(12-27(20)11-13)14-4-6-16(7-5-14)25-22(28)15-9-17(23)21(29-2)18(24)10-15;1-12-2-7-19-25-18(11-26(19)10-12)13-3-5-15(6-4-13)24-21(28)14-8-16(22)20(27)17(23)9-14;2-1(3)4/h3-12H,1-2H3,(H,25,28);2-11,27H,1H3,(H,24,28);.
What are the key properties of 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane?
3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane has a molecular weight of 1023.28 g/mol, XLogP of 11.55, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;3,5-difluoro-4-methoxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide;tribromoborane is sourced from PubChem (CID 159168014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).