1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine

C21H18BrClN4O — CID 163548384

IUPAC1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine
SMILESCOc1c([C@H](C)c2nc(Br)c3cnccn23)cc(Cl)c(C)c1-c1cccnc1
InChIInChI=1S/C21H18BrClN4O/c1-12(21-26-20(22)17-11-25-7-8-27(17)21)15-9-16(23)13(2)18(19(15)28-3)14-5-4-6-24-10-14/h4-12H,1-3H3/t12-/m0/s1
InChIKeyFGZDTMFJORVRAC-LBPRGKRZSA-N
MW457.76 g/mol
LogP5.68
Rot. Bonds4

About 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine

1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine (PubChem CID 163548384) has the molecular formula C21H18BrClN4O and a molecular weight of 457.76 g/mol. Its IUPAC name is 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine
PubChem CID163548384
Molecular FormulaC21H18BrClN4O
Molecular Weight457.76 g/mol
Exact Mass456.04
IUPAC Name1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine
SMILESCOc1c([C@H](C)c2nc(Br)c3cnccn23)cc(Cl)c(C)c1-c1cccnc1
InChIInChI=1S/C21H18BrClN4O/c1-12(21-26-20(22)17-11-25-7-8-27(17)21)15-9-16(23)13(2)18(19(15)28-3)14-5-4-6-24-10-14/h4-12H,1-3H3/t12-/m0/s1
InChIKeyFGZDTMFJORVRAC-LBPRGKRZSA-N
XLogP5.68
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazine
CID 134600964
3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 134600610
1-bromo-5-chloro-3-[1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600568
1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600677
1-bromo-3-[1-[5-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 134600683
1-bromo-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(5-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-chloro-2-ethoxy-4-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 158479531
1-chloro-3-[1-[5-chloro-4-methyl-2-propan-2-yloxy-3-[6-(trifluoromethyl)-3-pyridinyl]phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 158479533
1-[5-[5-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-2-pyridinyl]ethenol;1-bromo-3-[1-[5-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[1-[5-chloro-2-methoxy-3-(6-methoxy-3-pyridinyl)-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-bromo-3-[1-[5-chloro-2-methoxy-4-methyl-3-(6-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 160720010
3-[8-amino-3-[1-[5-chloro-2-ethoxy-4-methyl-3-(6-methyl-3-pyridinyl)phenyl]ethyl]imidazo[1,5-a]pyrazin-1-yl]phenol;1-[5-[3-[(1S)-1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-methylphenyl]-2-pyridinyl]ethenol;1-bromo-3-[1-[5-chloro-3-(4-chlorophenyl)-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine;1-chloro-3-[(1S)-1-[5-chloro-3-[6-[1-(dimethylamino)ethenyl]-3-pyridinyl]-2-ethoxy-4-methylphenyl]ethyl]imidazo[1,5-a]pyrazin-8-amine
CID 164983549
1-bromo-6-methoxy-3-pyridin-3-ylimidazo[1,5-a]pyridine
CID 84744177
3-[1-[5-chloro-3-(6-chloro-3-pyridinyl)-4-fluoro-2-propan-2-yloxyphenyl]ethyl]-1-methylimidazo[1,5-a]pyrazin-8-amine
CID 166769304
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine?
The IUPAC name of 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine (CID 163548384) is 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine is COc1c([C@H](C)c2nc(Br)c3cnccn23)cc(Cl)c(C)c1-c1cccnc1.
What is the InChIKey of 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine?
The InChIKey is FGZDTMFJORVRAC-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H18BrClN4O/c1-12(21-26-20(22)17-11-25-7-8-27(17)21)15-9-16(23)13(2)18(19(15)28-3)14-5-4-6-24-10-14/h4-12H,1-3H3/t12-/m0/s1.
What are the key properties of 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine?
1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine has a molecular weight of 457.76 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(1S)-1-(5-chloro-2-methoxy-4-methyl-3-pyridin-3-ylphenyl)ethyl]imidazo[1,5-a]pyrazine is sourced from PubChem (CID 163548384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).