1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone

C12H11BrN2O — CID 83904648

IUPAC1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone
SMILESCC(=O)c1cccc2c(Br)nc(C3CC3)n12
InChIInChI=1S/C12H11BrN2O/c1-7(16)9-3-2-4-10-11(13)14-12(15(9)10)8-5-6-8/h2-4,8H,5-6H2,1H3
InChIKeyDTWGZWFCYAZCDK-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.18
Rot. Bonds2

About 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone

1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone (PubChem CID 83904648) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone
PubChem CID83904648
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone
SMILESCC(=O)c1cccc2c(Br)nc(C3CC3)n12
InChIInChI=1S/C12H11BrN2O/c1-7(16)9-3-2-4-10-11(13)14-12(15(9)10)8-5-6-8/h2-4,8H,5-6H2,1H3
InChIKeyDTWGZWFCYAZCDK-UHFFFAOYSA-N
XLogP3.18
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-ol
CID 117250870
1-bromo-3-cyclobutylimidazo[1,5-a]pyridin-5-ol
CID 117250882
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83904650
1-bromo-5-methyl-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine
CID 84744309
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83840388
1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 84604743
1-chloro-3-cyclopentylimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250887
1-(3-cyclopropyl-5-methylimidazo[1,5-a]pyridin-1-yl)propan-2-one
CID 83840054
3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1,5-dicarboxylic acid
CID 117250287
8-bromo-6-cyclopropyl-3H-imidazo[1,5-d][1,2,4]triazin-4-one
CID 22758985
1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone
CID 45086294
1-(3-cycloheptyltriazolo[1,5-a]pyridin-7-yl)ethanone
CID 143371412

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone?
The IUPAC name of 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone (CID 83904648) is 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone is CC(=O)c1cccc2c(Br)nc(C3CC3)n12.
What is the InChIKey of 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone?
The InChIKey is DTWGZWFCYAZCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-7(16)9-3-2-4-10-11(13)14-12(15(9)10)8-5-6-8/h2-4,8H,5-6H2,1H3.
What are the key properties of 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone?
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone has a molecular weight of 279.14 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone is sourced from PubChem (CID 83904648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).