6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

C18H16ClN3O2 — CID 39122290

IUPAC6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Cl)cn2c1CN1CCc2ccccc2C1
InChIInChI=1S/C18H16ClN3O2/c19-14-5-6-16-20-17(18(23)24)15(22(16)10-14)11-21-8-7-12-3-1-2-4-13(12)9-21/h1-6,10H,7-9,11H2,(H,23,24)
InChIKeyLPJNDGURTNDKJB-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.24
Rot. Bonds3

About 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 39122290) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID39122290
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc2ccc(Cl)cn2c1CN1CCc2ccccc2C1
InChIInChI=1S/C18H16ClN3O2/c19-14-5-6-16-20-17(18(23)24)15(22(16)10-14)11-21-8-7-12-3-1-2-4-13(12)9-21/h1-6,10H,7-9,11H2,(H,23,24)
InChIKeyLPJNDGURTNDKJB-UHFFFAOYSA-N
XLogP3.24
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

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Related Compounds

[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24817599
[6-chloro-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42513030
[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 28665695
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018467
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylimidazo[1,2-a]pyridin-6-amine
CID 82058437
6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24914650
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 82069059
(3S)-3-[[6-chloro-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]azepan-2-one
CID 56858711
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 42783658
5-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2H-triazole-4-carboxylic acid
CID 155250220
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 39159965

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 39122290) is 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1nc2ccc(Cl)cn2c1CN1CCc2ccccc2C1.
What is the InChIKey of 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is LPJNDGURTNDKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c19-14-5-6-16-20-17(18(23)24)15(22(16)10-14)11-21-8-7-12-3-1-2-4-13(12)9-21/h1-6,10H,7-9,11H2,(H,23,24).
What are the key properties of 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid?
6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 341.80 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 39122290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).