[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C21H23ClN4O2 — CID 28665695

IUPAC[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCN(CCO)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12
InChIInChI=1S/C21H23ClN4O2/c1-24(10-11-27)14-18-20(23-19-7-6-17(22)13-26(18)19)21(28)25-9-8-15-4-2-3-5-16(15)12-25/h2-7,13,27H,8-12,14H2,1H3
InChIKeyMXEBYUNLDUHFBK-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.61
Rot. Bonds5

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

[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 28665695) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID28665695
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCN(CCO)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12
InChIInChI=1S/C21H23ClN4O2/c1-24(10-11-27)14-18-20(23-19-7-6-17(22)13-26(18)19)21(28)25-9-8-15-4-2-3-5-16(15)12-25/h2-7,13,27H,8-12,14H2,1H3
InChIKeyMXEBYUNLDUHFBK-UHFFFAOYSA-N
XLogP2.61
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018467
(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
6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122290
[6-chloro-3-[[3-cyclopentylpropyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 42512316
(4-chloro-1-methylpyrazol-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 728261
[6-chloro-3-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 29182467
3,4-dihydro-1H-isoquinolin-2-yl-(2,4,6-trimethylpyrimidin-5-yl)methanone
CID 110852429
[5-(4-chloroanilino)-2H-triazol-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 50929198
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 42783658
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2H-triazol-4-yl)methanone
CID 110691665

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [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) is [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is CN(CCO)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12.
What is the InChIKey of [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is MXEBYUNLDUHFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-24(10-11-27)14-18-20(23-19-7-6-17(22)13-26(18)19)21(28)25-9-8-15-4-2-3-5-16(15)12-25/h2-7,13,27H,8-12,14H2,1H3.
What are the key properties of [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 398.89 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 28665695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).