3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone

C23H19N3O2 — CID 171682763

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1cn2cc(-c3cccc(O)c3)ccc2n1)N1CCc2ccccc2C1
InChIInChI=1S/C23H19N3O2/c27-20-7-3-6-17(12-20)19-8-9-22-24-21(15-26(22)14-19)23(28)25-11-10-16-4-1-2-5-18(16)13-25/h1-9,12,14-15,27H,10-11,13H2
InChIKeyRGYBSGILPYKUFW-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.91
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 171682763) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID171682763
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1cn2cc(-c3cccc(O)c3)ccc2n1)N1CCc2ccccc2C1
InChIInChI=1S/C23H19N3O2/c27-20-7-3-6-17(12-20)19-8-9-22-24-21(15-26(22)14-19)23(28)25-11-10-16-4-1-2-5-18(16)13-25/h1-9,12,14-15,27H,10-11,13H2
InChIKeyRGYBSGILPYKUFW-UHFFFAOYSA-N
XLogP3.91
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 171682763) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone is O=C(c1cn2cc(-c3cccc(O)c3)ccc2n1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is RGYBSGILPYKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-20-7-3-6-17(12-20)19-8-9-22-24-21(15-26(22)14-19)23(28)25-11-10-16-4-1-2-5-18(16)13-25/h1-9,12,14-15,27H,10-11,13H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 369.42 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(3-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 171682763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).