2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide

C22H20ClN5O2 — CID 58617080

IUPAC2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(Nc2nc(-c3ccccc3Cl)cn3ccnc23)c1
InChIInChI=1S/C22H20ClN5O2/c1-27(2)20(29)14-30-16-7-5-6-15(12-16)25-21-22-24-10-11-28(22)13-19(26-21)17-8-3-4-9-18(17)23/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyNNDOBEHPMOWFSU-UHFFFAOYSA-N
MW421.89 g/mol
LogP4.26
Rot. Bonds6

About 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide

2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide (PubChem CID 58617080) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide
PubChem CID58617080
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(Nc2nc(-c3ccccc3Cl)cn3ccnc23)c1
InChIInChI=1S/C22H20ClN5O2/c1-27(2)20(29)14-30-16-7-5-6-15(12-16)25-21-22-24-10-11-28(22)13-19(26-21)17-8-3-4-9-18(17)23/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyNNDOBEHPMOWFSU-UHFFFAOYSA-N
XLogP4.26
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 87005818
2-[3-[[6-(3-aminophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide;4-[[6-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;2-[N-ethyl-4-[[6-[(E)-hex-1-enyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol
CID 158750446
N-phenyl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 10133723
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
N-[1-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-2-methylpropan-2-yl]benzamide
CID 140922972
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119713905
4-tert-butyl-N-[3-[8-[4-[2-(dimethylamino)ethoxy]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11562992
3-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]anilino]benzoic acid
CID 68794839
1-benzyl-N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891757
8-N-[3-(methoxymethyl)phenyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80802251
4-[[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]carbamoyl]benzoic acid
CID 11669556
methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
CID 52704348

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide (CID 58617080) is 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1cccc(Nc2nc(-c3ccccc3Cl)cn3ccnc23)c1.
What is the InChIKey of 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide?
The InChIKey is NNDOBEHPMOWFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-27(2)20(29)14-30-16-7-5-6-15(12-16)25-21-22-24-10-11-28(22)13-19(26-21)17-8-3-4-9-18(17)23/h3-13H,14H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide?
2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide has a molecular weight of 421.89 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(2-chlorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 58617080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).