2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone

C21H22Cl2N4O — CID 156575795

IUPAC2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CCN1C
InChIInChI=1S/C21H22Cl2N4O/c1-14-12-26(10-9-25(14)2)20(28)11-18-21(15-3-5-16(22)6-4-15)24-19-8-7-17(23)13-27(18)19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNKOATTNKYFCBFM-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.01
Rot. Bonds3

About 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone

2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone (PubChem CID 156575795) has the molecular formula C21H22Cl2N4O and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
PubChem CID156575795
Molecular FormulaC21H22Cl2N4O
Molecular Weight417.34 g/mol
Exact Mass416.12
IUPAC Name2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
SMILESCC1CN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CCN1C
InChIInChI=1S/C21H22Cl2N4O/c1-14-12-26(10-9-25(14)2)20(28)11-18-21(15-3-5-16(22)6-4-15)24-19-8-7-17(23)13-27(18)19/h3-8,13-14H,9-12H2,1-2H3
InChIKeyNKOATTNKYFCBFM-UHFFFAOYSA-N
XLogP4.01
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-2-[4-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 59445328
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
2-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-methyliodanuidylethanone
CID 163800953
2-[6-chloro-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 131993555
2-[6-chloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
CID 24945186
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylethanone
CID 172677002
methyl 2-amino-3-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884086
4-[4-(4-chlorophenyl)-2-[(3R)-3,4-dimethylpiperazine-1-carbonyl]-1,3-thiazol-5-yl]benzenesulfonamide
CID 118433696
3-[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91634623
2-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 143657498

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone (CID 156575795) is 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone is CC1CN(C(=O)Cc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cn23)CCN1C.
What is the InChIKey of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone?
The InChIKey is NKOATTNKYFCBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O/c1-14-12-26(10-9-25(14)2)20(28)11-18-21(15-3-5-16(22)6-4-15)24-19-8-7-17(23)13-27(18)19/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone?
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone has a molecular weight of 417.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 156575795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).