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

C22H25FN4O — CID 138646701

IUPAC[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone
SMILESCc1cccc(C)c1CNc1cc(C(=O)N2CC(F)C2)cn2c(C)c(C)nc12
InChIInChI=1S/C22H25FN4O/c1-13-6-5-7-14(2)19(13)9-24-20-8-17(22(28)26-11-18(23)12-26)10-27-16(4)15(3)25-21(20)27/h5-8,10,18,24H,9,11-12H2,1-4H3
InChIKeyXKWYNWXLKRHHSE-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.97
Rot. Bonds4

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

[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone (PubChem CID 138646701) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone
PubChem CID138646701
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone
SMILESCc1cccc(C)c1CNc1cc(C(=O)N2CC(F)C2)cn2c(C)c(C)nc12
InChIInChI=1S/C22H25FN4O/c1-13-6-5-7-14(2)19(13)9-24-20-8-17(22(28)26-11-18(23)12-26)10-27-16(4)15(3)25-21(20)27/h5-8,10,18,24H,9,11-12H2,1-4H3
InChIKeyXKWYNWXLKRHHSE-UHFFFAOYSA-N
XLogP3.97
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.97
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-(2-methoxyethoxy)azetidin-1-yl]methanone
CID 138622201
[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]-N-ethoxy-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 150494948
azetidin-1-yl-[8-[(3-chloro-2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]methanone
CID 138622167
[(2S)-1-[[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carbonyl]amino]propan-2-yl] methanesulfonate
CID 87236278
6-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 24890698
N-[(2,6-dimethylphenyl)methyl]-6-(2-methoxyphenyl)-2,3-dimethylimidazo[1,2-a]pyridin-8-amine;formaldehyde
CID 143295119
N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridin-8-amine
CID 59824133
N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride
CID 24890693
2-[[(2,3-dimethylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylbenzamide
CID 70296765
(2R)-N-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-2,6-dihydroxy-4,8,11-trioxo-3,9,10-trioxabicyclo[4.3.2]undecane-2-carboxamide
CID 178065941
5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride
CID 24889345

Frequently Asked Questions

What is the IUPAC name of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone (CID 138646701) is [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone is Cc1cccc(C)c1CNc1cc(C(=O)N2CC(F)C2)cn2c(C)c(C)nc12.
What is the InChIKey of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is XKWYNWXLKRHHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-13-6-5-7-14(2)19(13)9-24-20-8-17(22(28)26-11-18(23)12-26)10-27-16(4)15(3)25-21(20)27/h5-8,10,18,24H,9,11-12H2,1-4H3.
What are the key properties of [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone?
[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 380.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 138646701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).