azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone

C22H25ClN4O — CID 138622167

IUPACazetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone
SMILESCc1ccc(Cl)c(C)c1CNc1cc(C(=O)N2CCC2)cn2c(C)c(C)nc12
InChIInChI=1S/C22H25ClN4O/c1-13-6-7-19(23)14(2)18(13)11-24-20-10-17(22(28)26-8-5-9-26)12-27-16(4)15(3)25-21(20)27/h6-7,10,12,24H,5,8-9,11H2,1-4H3
InChIKeySXHPKCCRINXJFQ-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.68
Rot. Bonds4

About azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone

azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone (PubChem CID 138622167) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone
PubChem CID138622167
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Nameazetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone
SMILESCc1ccc(Cl)c(C)c1CNc1cc(C(=O)N2CCC2)cn2c(C)c(C)nc12
InChIInChI=1S/C22H25ClN4O/c1-13-6-7-19(23)14(2)18(13)11-24-20-10-17(22(28)26-8-5-9-26)12-27-16(4)15(3)25-21(20)27/h6-7,10,12,24H,5,8-9,11H2,1-4H3
InChIKeySXHPKCCRINXJFQ-UHFFFAOYSA-N
XLogP4.68
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone
CID 138622200
[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone
CID 138646701
[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(2-methoxyethoxy)azetidin-1-yl]methanone
CID 138622201
[(2S)-1-[[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carbonyl]amino]propan-2-yl] methanesulfonate
CID 87236278
2,3-dimethyl-8-(3-phenylpropylamino)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 150350313
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
[4-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 75468554
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylbenzamide
CID 70296765
N-[(2,6-dimethylphenyl)methyl]-6-(2-methoxyphenyl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine;formaldehyde
CID 143295119
N-(3-chloro-2-methylphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085061
N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride
CID 24890693
8-[(2-ethyl-6-methylphenyl)methylamino]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 11370742

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone?
The IUPAC name of azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone (CID 138622167) is azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone?
The canonical SMILES for azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone is Cc1ccc(Cl)c(C)c1CNc1cc(C(=O)N2CCC2)cn2c(C)c(C)nc12.
What is the InChIKey of azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone?
The InChIKey is SXHPKCCRINXJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O/c1-13-6-7-19(23)14(2)18(13)11-24-20-10-17(22(28)26-8-5-9-26)12-27-16(4)15(3)25-21(20)27/h6-7,10,12,24H,5,8-9,11H2,1-4H3.
What are the key properties of azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone?
azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone has a molecular weight of 396.92 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone is sourced from PubChem (CID 138622167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).