1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone

C12H11BrN2O — CID 83904650

IUPAC1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone
SMILESCC(=O)c1ccc2c(Br)nc(C3CC3)n2c1
InChIInChI=1S/C12H11BrN2O/c1-7(16)9-4-5-10-11(13)14-12(8-2-3-8)15(10)6-9/h4-6,8H,2-3H2,1H3
InChIKeyRORRQEXXZKBSRP-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.18
Rot. Bonds2

About 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone

1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone (PubChem CID 83904650) 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-6-yl)ethanone.

Molecular Properties

Compound Name1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone
PubChem CID83904650
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone
SMILESCC(=O)c1ccc2c(Br)nc(C3CC3)n2c1
InChIInChI=1S/C12H11BrN2O/c1-7(16)9-4-5-10-11(13)14-12(8-2-3-8)15(10)6-9/h4-6,8H,2-3H2,1H3
InChIKeyRORRQEXXZKBSRP-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-(3-cyclopropyl-1-methylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83886344
1-(3-cyclobutyl-1-methylimidazo[1,5-a]pyridin-6-yl)ethanone
CID 83893261
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-5-yl)ethanone
CID 83904648
1-[4-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 84604743
1-bromo-3-cyclohexyl-N,N-dimethylimidazo[1,5-a]pyridin-6-amine
CID 84744725
1-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone
CID 83893649
1-bromo-3-methylimidazo[1,5-a]pyridine-6-carboxylic acid
CID 83844047
1-bromo-6-methoxy-3-(oxan-4-yl)imidazo[1,5-a]pyridine
CID 84744388
1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone
CID 83845307
1-bromo-6-methyl-3-piperidin-3-ylimidazo[1,5-a]pyridine
CID 84743889
6-bromo-3-cyclopropylimidazo[1,5-a]pyridin-1-amine
CID 83867430
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-6-carboxylate
CID 117251063

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone?
The IUPAC name of 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone (CID 83904650) is 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone is CC(=O)c1ccc2c(Br)nc(C3CC3)n2c1.
What is the InChIKey of 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone?
The InChIKey is RORRQEXXZKBSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-7(16)9-4-5-10-11(13)14-12(8-2-3-8)15(10)6-9/h4-6,8H,2-3H2,1H3.
What are the key properties of 1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-yl)ethanone?
1-(1-bromo-3-cyclopropylimidazo[1,5-a]pyridin-6-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-6-yl)ethanone is sourced from PubChem (CID 83904650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).