2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol

C22H20N4O — CID 70726889

IUPAC2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESOC1CN(Cc2c(-c3ccccc3)nc3ncccn23)Cc2ccccc21
InChIInChI=1S/C22H20N4O/c27-20-15-25(13-17-9-4-5-10-18(17)20)14-19-21(16-7-2-1-3-8-16)24-22-23-11-6-12-26(19)22/h1-12,20,27H,13-15H2
InChIKeySAKVEZOQCFRFFR-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.45
Rot. Bonds3

About 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol

2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 70726889) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID70726889
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol
SMILESOC1CN(Cc2c(-c3ccccc3)nc3ncccn23)Cc2ccccc21
InChIInChI=1S/C22H20N4O/c27-20-15-25(13-17-9-4-5-10-18(17)20)14-19-21(16-7-2-1-3-8-16)24-22-23-11-6-12-26(19)22/h1-12,20,27H,13-15H2
InChIKeySAKVEZOQCFRFFR-UHFFFAOYSA-N
XLogP3.45
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183039
2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183047
4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]morpholine
CID 122183034
2-(2-phenylimidazo[1,2-a]pyrimidin-3-yl)ethanamine
CID 82292189
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144
(5S)-7-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 95211797
3-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidine;dihydrochloride
CID 142494523
(3R)-1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidine-3-carboxylic acid
CID 40638692
7-oxo-3-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane-9-carbaldehyde
CID 175882035
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-cyclopropyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 147844744
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-9-(cyclopentanecarbonyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 168863988

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol (CID 70726889) is 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol is OC1CN(Cc2c(-c3ccccc3)nc3ncccn23)Cc2ccccc21.
What is the InChIKey of 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is SAKVEZOQCFRFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-20-15-25(13-17-9-4-5-10-18(17)20)14-19-21(16-7-2-1-3-8-16)24-22-23-11-6-12-26(19)22/h1-12,20,27H,13-15H2.
What are the key properties of 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol?
2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 356.43 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 70726889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).