8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C13H14ClN3O3 — CID 117255610

IUPAC8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CN2CCOCC2)n2cccc(Cl)c12
InChIInChI=1S/C13H14ClN3O3/c14-9-2-1-3-17-10(8-16-4-6-20-7-5-16)15-11(12(9)17)13(18)19/h1-3H,4-8H2,(H,18,19)
InChIKeyBYMXHUQTKKTUQI-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.52
Rot. Bonds3

About 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255610) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255610
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(CN2CCOCC2)n2cccc(Cl)c12
InChIInChI=1S/C13H14ClN3O3/c14-9-2-1-3-17-10(8-16-4-6-20-7-5-16)15-11(12(9)17)13(18)19/h1-3H,4-8H2,(H,18,19)
InChIKeyBYMXHUQTKKTUQI-UHFFFAOYSA-N
XLogP1.52
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-3-(piperazin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255609
3-(2-carboxyethyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255108
(2,3-dichlorophenyl)-[3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-1-yl]methanone
CID 57436279
4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
3-(2-morpholin-4-ylethyl)imidazo[1,5-a]pyridine-1-carbonyl chloride
CID 86617457
(2,3-dichlorophenyl)-[1-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridin-3-yl]methanone
CID 46209990
2-[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82028868
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
2-[4-(morpholin-4-ylmethyl)phenoxy]acetic acid;hydrochloride
CID 46736007
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
7-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246922

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255610) is 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(CN2CCOCC2)n2cccc(Cl)c12.
What is the InChIKey of 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is BYMXHUQTKKTUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-9-2-1-3-17-10(8-16-4-6-20-7-5-16)15-11(12(9)17)13(18)19/h1-3H,4-8H2,(H,18,19).
What are the key properties of 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 295.73 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(morpholin-4-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).