5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

C20H17BrFN3O — CID 112832989

IUPAC5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C20H17BrFN3O/c21-14-6-9-18(22)17(11-14)20(26)24-15-7-4-13(5-8-15)19-23-12-16-3-1-2-10-25(16)19/h4-9,11-12H,1-3,10H2,(H,24,26)
InChIKeyHGDPDRMSMVKLBZ-UHFFFAOYSA-N
MW414.28 g/mol
LogP5.04
Rot. Bonds3

About 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide

5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 112832989) has the molecular formula C20H17BrFN3O and a molecular weight of 414.28 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
PubChem CID112832989
Molecular FormulaC20H17BrFN3O
Molecular Weight414.28 g/mol
Exact Mass413.05
IUPAC Name5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C20H17BrFN3O/c21-14-6-9-18(22)17(11-14)20(26)24-15-7-4-13(5-8-15)19-23-12-16-3-1-2-10-25(16)19/h4-9,11-12H,1-3,10H2,(H,24,26)
InChIKeyHGDPDRMSMVKLBZ-UHFFFAOYSA-N
XLogP5.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.28
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833016
5-bromo-2-fluoro-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 46529904
2-(3-chloro-4-fluorophenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 112832862
2-(2-cyanophenyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833070
3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833260
3-bromo-4-ethoxy-5-methoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112832942
6-methyl-1-propan-2-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 112833096
3-(4-bromo-3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 146644321
4-ethoxy-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833292
4-(1,3-dithian-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833310
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 75392897
2-methyl-3-(methylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 119858470

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide (CID 112832989) is 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ncc3n2CCCC3)cc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
The InChIKey is HGDPDRMSMVKLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrFN3O/c21-14-6-9-18(22)17(11-14)20(26)24-15-7-4-13(5-8-15)19-23-12-16-3-1-2-10-25(16)19/h4-9,11-12H,1-3,10H2,(H,24,26).
What are the key properties of 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide?
5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 414.28 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 112832989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).