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

C19H18BrFN2O3 — CID 58324526

IUPAC1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
SMILESC[C@H](O)COCC(=O)c1ccc2cncn2c1Cc1ccc(Br)cc1F
InChIInChI=1S/C19H18BrFN2O3/c1-12(24)9-26-10-19(25)16-5-4-15-8-22-11-23(15)18(16)6-13-2-3-14(20)7-17(13)21/h2-5,7-8,11-12,24H,6,9-10H2,1H3/t12-/m0/s1
InChIKeyFSNFVQPARKPLBX-LBPRGKRZSA-N
MW421.27 g/mol
LogP3.41
Rot. Bonds7

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

1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone (PubChem CID 58324526) has the molecular formula C19H18BrFN2O3 and a molecular weight of 421.27 g/mol. Its IUPAC name is 1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone.

Molecular Properties

Compound Name1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
PubChem CID58324526
Molecular FormulaC19H18BrFN2O3
Molecular Weight421.27 g/mol
Exact Mass420.05
IUPAC Name1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
SMILESC[C@H](O)COCC(=O)c1ccc2cncn2c1Cc1ccc(Br)cc1F
InChIInChI=1S/C19H18BrFN2O3/c1-12(24)9-26-10-19(25)16-5-4-15-8-22-11-23(15)18(16)6-13-2-3-14(20)7-17(13)21/h2-5,7-8,11-12,24H,6,9-10H2,1H3/t12-/m0/s1
InChIKeyFSNFVQPARKPLBX-LBPRGKRZSA-N
XLogP3.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324543
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
6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368282
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
5-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 59140163
5-[(2-fluoro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368313
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
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
4-[(4-bromo-2-fluorophenyl)methyl]-5-[2-(cyclopropylmethoxy)acetyl]-1,3-dimethylpyridin-2-one
CID 58360709
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?
The IUPAC name of 1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone (CID 58324526) is 1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone.
What is the SMILES notation for 1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?
The canonical SMILES for 1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone is C[C@H](O)COCC(=O)c1ccc2cncn2c1Cc1ccc(Br)cc1F.
What is the InChIKey of 1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?
The InChIKey is FSNFVQPARKPLBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18BrFN2O3/c1-12(24)9-26-10-19(25)16-5-4-15-8-22-11-23(15)18(16)6-13-2-3-14(20)7-17(13)21/h2-5,7-8,11-12,24H,6,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone?
1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone has a molecular weight of 421.27 g/mol, XLogP of 3.41, 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]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone is sourced from PubChem (CID 58324526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).