About 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 158266235) has the molecular formula C121H105Cl2F4N35O6
and a molecular weight of 2292.31 g/mol. Its IUPAC name is 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 158266235) is 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is CC(=O)Nc1cc2c(F)c(-c3ccccc3C)nc(N)c2cn1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1F.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3c3cn[nH]c3)cc2c1F.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3C#N)cc2c1F.
What is the InChIKey of 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is GILXJWXCMSQNHN-TVELWZNASA-N. The full InChI is InChI=1S/C22H19ClN6O.C22H19FN6O.C20H18ClN7O.C20H18FN7O.C20H16FN5O.C17H15FN4O/c2*1-11-4-2-3-5-13(11)20-19(23)15-7-18(25-10-17(15)21(24)29-20)28-22(30)16-6-14(16)12-8-26-27-9-12;2*1-11-5-3-4-6-13(11)18-17(21)14-7-16(23-9-15(14)19(22)27-18)26-20(29)25-12-8-24-28(2)10-12;1-10-4-2-3-5-12(10)18-17(21)14-7-16(24-9-15(14)19(23)26-18)25-20(27)13-6-11(13)8-22;1-9-5-3-4-6-11(9)16-15(18)12-7-14(21-10(2)23)20-8-13(12)17(19)22-16/h2*2-5,7-10,14,16H,6H2,1H3,(H2,24,29)(H,26,27)(H,25,28,30);2*3-10H,1-2H3,(H2,22,27)(H2,23,25,26,29);2-5,7,9,11,13H,6H2,1H3,(H2,23,26)(H,24,25,27);3-8H,1-2H3,(H2,19,22)(H,20,21,23)/t2*14-,16+;;;11-,13+;/m00..1./s1.
What are the key properties of 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2292.31 g/mol, XLogP of 22.73, 19 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;cis-(1S,2S)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158266235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).