1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone

C13H16N2O — CID 83887167

IUPAC1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone
SMILESCC(=O)c1ccn2c(CC(C)C)ncc2c1
InChIInChI=1S/C13H16N2O/c1-9(2)6-13-14-8-12-7-11(10(3)16)4-5-15(12)13/h4-5,7-9H,6H2,1-3H3
InChIKeyPQDNGQUNEVDVBB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.74
Rot. Bonds3

About 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone

1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone (PubChem CID 83887167) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone
PubChem CID83887167
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone
SMILESCC(=O)c1ccn2c(CC(C)C)ncc2c1
InChIInChI=1S/C13H16N2O/c1-9(2)6-13-14-8-12-7-11(10(3)16)4-5-15(12)13/h4-5,7-9H,6H2,1-3H3
InChIKeyPQDNGQUNEVDVBB-UHFFFAOYSA-N
XLogP2.74
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylimidazo[1,5-a]pyridin-7-yl)ethanone
CID 83874267
1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]cyclopropan-1-amine
CID 83864892
1-(7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117253978
1-(7-bromoimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117254007
methyl 3-[(4-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylate
CID 117145255
methyl 3-(2-pyrrolidin-1-ylethyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145337
3-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117145233
3-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117145232
1-[4-[3-(2-methylpropyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone
CID 17370732
1-formyl-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 84741781
methyl 1-chloro-3-(2-methylpropyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251812
3-ethyl-7-methylimidazo[1,5-a]pyridine
CID 117144613

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone?
The IUPAC name of 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone (CID 83887167) is 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone is CC(=O)c1ccn2c(CC(C)C)ncc2c1.
What is the InChIKey of 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone?
The InChIKey is PQDNGQUNEVDVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)6-13-14-8-12-7-11(10(3)16)4-5-15(12)13/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone?
1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone has a molecular weight of 216.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]ethanone is sourced from PubChem (CID 83887167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).