1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone

C11H10F3N3O — CID 84742360

IUPAC1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESCc1cccn2c(CN)nc(C(=O)C(F)(F)F)c12
InChIInChI=1S/C11H10F3N3O/c1-6-3-2-4-17-7(5-15)16-8(9(6)17)10(18)11(12,13)14/h2-4H,5,15H2,1H3
InChIKeyVAYAHILFACKYEL-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.85
Rot. Bonds2

About 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone

1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 84742360) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
PubChem CID84742360
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
SMILESCc1cccn2c(CN)nc(C(=O)C(F)(F)F)c12
InChIInChI=1S/C11H10F3N3O/c1-6-3-2-4-17-7(5-15)16-8(9(6)17)10(18)11(12,13)14/h2-4H,5,15H2,1H3
InChIKeyVAYAHILFACKYEL-UHFFFAOYSA-N
XLogP1.85
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-8-methylimidazo[1,5-a]pyridine-1-carbonitrile
CID 84739593
3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254561
1-(3,8-dimethylimidazo[1,5-a]pyridin-1-yl)ethanone
CID 84661486
methyl 3-(aminomethyl)-8-bromoimidazo[1,5-a]pyridine-1-carboxylate
CID 117254883
(3,8-dimethylimidazo[1,5-a]pyridin-1-yl)methanamine
CID 83827526
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
8-methyl-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255669
2-amino-1-(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84688822
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
1-chloro-3-(2,2-dimethylpropyl)-8-methylimidazo[1,5-a]pyridine
CID 117252428

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone (CID 84742360) is 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is Cc1cccn2c(CN)nc(C(=O)C(F)(F)F)c12.
What is the InChIKey of 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is VAYAHILFACKYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-6-3-2-4-17-7(5-15)16-8(9(6)17)10(18)11(12,13)14/h2-4H,5,15H2,1H3.
What are the key properties of 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 257.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 84742360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).