1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one

C13H16N2O2 — CID 83895202

IUPAC1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one
SMILESCC(=O)Cc1ncn2ccc(C(C)(C)O)cc12
InChIInChI=1S/C13H16N2O2/c1-9(16)6-11-12-7-10(13(2,3)17)4-5-15(12)8-14-11/h4-5,7-8,17H,6H2,1-3H3
InChIKeyCCDLZDFPMWOSCT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.69
Rot. Bonds3

About 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one

1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one (PubChem CID 83895202) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one
PubChem CID83895202
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one
SMILESCC(=O)Cc1ncn2ccc(C(C)(C)O)cc12
InChIInChI=1S/C13H16N2O2/c1-9(16)6-11-12-7-10(13(2,3)17)4-5-15(12)8-14-11/h4-5,7-8,17H,6H2,1-3H3
InChIKeyCCDLZDFPMWOSCT-UHFFFAOYSA-N
XLogP1.69
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SL-84.0877
CID 13691335
Imidazo(1,2-a)pyridine-3-acetamide, 6-(hydroxymethyl)-N,N-dimethyl-2-(4-methylphenyl)-
CID 13691337
3-(6-Amino-pyridin-3-yl)-2-(1-ethyl-1H-imidazol-4-yl)-propionic acid
CID 9813856
3-(6-Amino-pyridin-3-yl)-2-(1-butyl-1H-imidazol-4-yl)-propionic acid
CID 9857137
3-(6-Amino-pyridin-3-yl)-2-(1-isopropyl-1H-imidazol-4-yl)-propionic acid
CID 9943447
8-(4-Carboxybutyl)imidazo[1,5-a]pyridine
CID 13206151
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
3-(6-Amino-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-imidazol-4-yl]-propionic acid
CID 9926432
3-(6-Amino-pyridin-3-yl)-2-[1-(4-methyl-pentyl)-1H-imidazol-4-yl]-propionic acid
CID 44308352
6-(4-Carboxybutyl)-imidazo[1,5-a]pyridine
CID 13206152
5-Imidazo[1,5-a]pyridin-7-yl-pentanoic acid
CID 13206153
US10273222, Example 4
CID 86268885

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one?
The IUPAC name of 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one (CID 83895202) is 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one.
What is the SMILES notation for 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one?
The canonical SMILES for 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one is CC(=O)Cc1ncn2ccc(C(C)(C)O)cc12.
What is the InChIKey of 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one?
The InChIKey is CCDLZDFPMWOSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)6-11-12-7-10(13(2,3)17)4-5-15(12)8-14-11/h4-5,7-8,17H,6H2,1-3H3.
What are the key properties of 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one?
1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-hydroxypropan-2-yl)imidazo[1,5-a]pyridin-1-yl]propan-2-one is sourced from PubChem (CID 83895202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).