About 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 167651981) has the molecular formula C325H369Cl4F19N88O33
and a molecular weight of 6538.88 g/mol. Its IUPAC name is 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one.
Frequently Asked Questions
What is the IUPAC name of 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one (CID 167651981) is 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C5CCOC5)n4)n(C)c3c2C(F)F)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(CC5CCN(C)CC5(F)F)n4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@@H]5CCN(C)CC5(F)F)n4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n(C[C@H]5CCN(C)CC5(F)F)n4)n(C)c3c2)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(C)C)n([C@@H]5CCOC5)n4)n(C)c3c2C(F)F)ccn1.CC(=O)Cc1cc(Oc2cnc3nc(Nc4cc(C(C)(F)F)n([C@H]5CCOC5)n4)n(C)c3c2Cl)ccn1.COC1CC(n2nc(Nc3nc4ncc(Oc5ccnc(CC(C)=O)c5)c(Cl)c4n3C)cc2C(C)(F)F)C1.COC1CC(n2nc(Nc3nc4ncc(Oc5ccnc(CC(C)=O)c5)c(Cl)c4n3C)cc2C(C)(F)F)C1.Cn1c(Nc2nn(C3CCOC3)c(C(C)(C)C)c2F)nc2ncc(Oc3ccnc(CC(=O)C4CC4)c3)cc21.Cn1c(Nc2nn([C@@H]3CCOC3)c(C(C)(C)C)c2F)nc2ncc(Oc3ccnc(CC(=O)C4CC4)c3)cc21.Cn1c(Nc2nn([C@H]3CCOC3)c(C(C)(C)C)c2F)nc2ncc(Oc3ccnc(CC(=O)C4CC4)c3)cc21.[C-]#[N+]C(C)(C)c1cc(Nc2nc3ncc(Oc4ccnc(CC(C)=O)c4)c(Cl)c3n2C)nn1[C@H]1CCOC1.
What is the InChIKey of 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?
The InChIKey is QSCWJSBUJMRYME-ZIXOTMGKSA-N. The full InChI is InChI=1S/3C29H36F2N8O2.3C28H32FN7O3.2C27H31F2N7O3.C26H27ClN8O3.2C25H26ClF2N7O3.C24H24ClF2N7O3/c3*1-18(40)11-20-12-21(7-9-32-20)41-22-13-23-26(33-15-22)35-27(38(23)6)34-25-14-24(28(2,3)4)39(36-25)16-19-8-10-37(5)17-29(19,30)31;3*1-28(2,3)24-23(29)26(34-36(24)18-8-10-38-15-18)33-27-32-25-21(35(27)4)13-20(14-31-25)39-19-7-9-30-17(11-19)12-22(37)16-5-6-16;2*1-15(37)10-16-11-18(6-8-30-16)39-19-13-31-25-23(22(19)24(28)29)35(5)26(33-25)32-21-12-20(27(2,3)4)36(34-21)17-7-9-38-14-17;1-15(36)10-16-11-18(6-8-29-16)38-19-13-30-24-23(22(19)27)34(5)25(32-24)31-21-12-20(26(2,3)28-4)35(33-21)17-7-9-37-14-17;2*1-13(36)7-14-8-16(5-6-29-14)38-18-12-30-23-22(21(18)26)34(3)24(32-23)31-20-11-19(25(2,27)28)35(33-20)15-9-17(10-15)37-4;1-13(35)8-14-9-16(4-6-28-14)37-17-11-29-22-21(20(17)25)33(3)23(31-22)30-19-10-18(24(2,26)27)34(32-19)15-5-7-36-12-15/h3*7,9,12-15,19H,8,10-11,16-17H2,1-6H3,(H,33,34,35,36);3*7,9,11,13-14,16,18H,5-6,8,10,12,15H2,1-4H3,(H,31,32,33,34);2*6,8,11-13,17,24H,7,9-10,14H2,1-5H3,(H,31,32,33,34);6,8,11-13,17H,7,9-10,14H2,1-3,5H3,(H,30,31,32,33);2*5-6,8,11-12,15,17H,7,9-10H2,1-4H3,(H,30,31,32,33);4,6,9-11,15H,5,7-8,12H2,1-3H3,(H,29,30,31,32)/t2*19-;;2*18-;;17-;;17-;;;15-/m10.10.1.0..0/s1.
What are the key properties of 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one?
1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 6538.88 g/mol, XLogP of 61.86, 98 rotatable bonds, 12 hydrogen bond donors, and 120 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[5-tert-butyl-1-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-[[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]methyl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;2-[4-[2-[[5-tert-butyl-4-fluoro-1-(oxolan-3-yl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;2-[4-[2-[[5-tert-butyl-4-fluoro-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-1-cyclopropylethanone;1-[4-[2-[[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[2-[[5-tert-butyl-1-(oxolan-3-yl)pyrazol-3-yl]amino]-7-(difluoromethyl)-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;bis(1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one);1-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one;1-[4-[7-chloro-2-[[5-(2-isocyanopropan-2-yl)-1-[(3S)-oxolan-3-yl]pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 167651981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).