3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one

C23H23F2N3O3 — CID 69407130

IUPAC3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCc1c(C(=O)N2CC(F)(F)C2)cn2c(C)c(C)nc2c1O
InChIInChI=1S/C23H23F2N3O3/c1-13-6-4-5-7-16(13)19(29)9-8-17-18(22(31)27-11-23(24,25)12-27)10-28-15(3)14(2)26-21(28)20(17)30/h4-7,10,30H,8-9,11-12H2,1-3H3
InChIKeyJBZLIPKVIWZMIC-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.87
Rot. Bonds5

About 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one

3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one (PubChem CID 69407130) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one
PubChem CID69407130
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCc1c(C(=O)N2CC(F)(F)C2)cn2c(C)c(C)nc2c1O
InChIInChI=1S/C23H23F2N3O3/c1-13-6-4-5-7-16(13)19(29)9-8-17-18(22(31)27-11-23(24,25)12-27)10-28-15(3)14(2)26-21(28)20(17)30/h4-7,10,30H,8-9,11-12H2,1-3H3
InChIKeyJBZLIPKVIWZMIC-UHFFFAOYSA-N
XLogP3.87
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-hydroxy-N,N,2,3-tetramethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 23730046
ethyl 8-hydroxy-2,3-dimethyl-7-[3-(2-methylphenyl)-3-oxopropyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 69405543
8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 91595073
[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-[3-(hydroxymethyl)-3-methylazetidin-1-yl]methanone
CID 138622200
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
azetidin-1-yl-(2',3'-dimethylspiro[1,3-dihydroindene-2,9'-8,10-dihydro-7H-imidazo[1,2-h][1,7]naphthyridine]-6'-yl)methanone
CID 12002988
N-butan-2-yl-8-hydroxy-7-(1-hydroxypropyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 69489766
1-(2-methylphenyl)-3-propan-2-yloxypropan-1-one
CID 114998408
1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-2-one
CID 82132828
[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-(3-fluoroazetidin-1-yl)methanone
CID 138646701
1-(2-methylphenyl)undecan-1-one
CID 63409592

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one (CID 69407130) is 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)CCc1c(C(=O)N2CC(F)(F)C2)cn2c(C)c(C)nc2c1O.
What is the InChIKey of 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one?
The InChIKey is JBZLIPKVIWZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c1-13-6-4-5-7-16(13)19(29)9-8-17-18(22(31)27-11-23(24,25)12-27)10-28-15(3)14(2)26-21(28)20(17)30/h4-7,10,30H,8-9,11-12H2,1-3H3.
What are the key properties of 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one?
3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one has a molecular weight of 427.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,3-difluoroazetidine-1-carbonyl)-8-hydroxy-2,3-dimethylimidazo[1,2-a]pyridin-7-yl]-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 69407130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).