1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone

C19H17BrF2N2O3 — CID 58324543

IUPAC1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
SMILESC[C@H](O)COCC(=O)c1cc(F)c2cncn2c1Cc1ccc(Br)cc1F
InChIInChI=1S/C19H17BrF2N2O3/c1-11(25)8-27-9-19(26)14-6-16(22)18-7-23-10-24(18)17(14)4-12-2-3-13(20)5-15(12)21/h2-3,5-7,10-11,25H,4,8-9H2,1H3/t11-/m0/s1
InChIKeyCKNCHSCIWDACCY-NSHDSACASA-N
MW439.26 g/mol
LogP3.55
Rot. Bonds7

About 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone

1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone (PubChem CID 58324543) has the molecular formula C19H17BrF2N2O3 and a molecular weight of 439.26 g/mol. Its IUPAC name is 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone.

Molecular Properties

Compound Name1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
PubChem CID58324543
Molecular FormulaC19H17BrF2N2O3
Molecular Weight439.26 g/mol
Exact Mass438.04
IUPAC Name1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
SMILESC[C@H](O)COCC(=O)c1cc(F)c2cncn2c1Cc1ccc(Br)cc1F
InChIInChI=1S/C19H17BrF2N2O3/c1-11(25)8-27-9-19(26)14-6-16(22)18-7-23-10-24(18)17(14)4-12-2-3-13(20)5-15(12)21/h2-3,5-7,10-11,25H,4,8-9H2,1H3/t11-/m0/s1
InChIKeyCKNCHSCIWDACCY-NSHDSACASA-N
XLogP3.55
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324526
1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyrazin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324535
methyl 5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylate
CID 58324521
4-[(4-bromo-2-fluorophenyl)methyl]-1-(cyclopropylmethyl)-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-3-methylpyridin-2-one
CID 58360705
3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368295
6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368282
5-[(2-fluoro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368313
1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone
CID 58300341
1-[7-[(2-chloro-4-cyclopropylphenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone;1-[8-chloro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(4-cyclopropyl-2-fluorophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2R)-2,3-dihydroxypropoxy]ethanone;1-[8-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]imidazo[1,2-c]pyrimidin-2-yl]-2-(2-hydroxyethoxy)ethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-(1-hydroxy-2-methylpropan-2-yl)oxyethanone;1-[7-[(2-fluoro-4-iodophenyl)methyl]pyrrolo[1,2-c]pyrimidin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 157312148
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
methyl 2-[(4-bromo-2-fluorophenyl)methyl]-1,5-dimethyl-6-oxopyridine-3-carboxylate
CID 58360839
4-[(4-bromo-2-fluorophenyl)methyl]-3-fluoro-5-(2-propoxyacetyl)-1-(pyrazin-2-ylmethyl)pyridin-2-one
CID 58360852

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?
The IUPAC name of 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone (CID 58324543) is 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone.
What is the SMILES notation for 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?
The canonical SMILES for 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone is C[C@H](O)COCC(=O)c1cc(F)c2cncn2c1Cc1ccc(Br)cc1F.
What is the InChIKey of 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?
The InChIKey is CKNCHSCIWDACCY-NSHDSACASA-N. The full InChI is InChI=1S/C19H17BrF2N2O3/c1-11(25)8-27-9-19(26)14-6-16(22)18-7-23-10-24(18)17(14)4-12-2-3-13(20)5-15(12)21/h2-3,5-7,10-11,25H,4,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?
1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone has a molecular weight of 439.26 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone is sourced from PubChem (CID 58324543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).