About 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167584487) has the molecular formula C94H93F6N21O8S5
and a molecular weight of 1919.24 g/mol. Its IUPAC name is 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167584487) is 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4cc(N5CC6CNCC(C5)O6)c(C#N)cc4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5C6CN[C@@H]7C6C75)cc(F)c4C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(F)c(N5C6CN[C@H]7C6C75)cc(F)c4C3)sc2n1.Cc1nc2sc(C(=O)N[C@H]3COc4cc(N5CC6CCC(C5)N6)c(F)c(F)c4C3)c(N)c2s1.
What is the InChIKey of 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is HPLBFKFAPAUBPN-BYPSXUMASA-N. The full InChI is InChI=1S/C26H28N6O2S.2C23H21F2N5O2S.C22H23F2N5O2S2/c1-14-2-5-21-23(28)24(35-26(21)30-14)25(33)31-18-4-3-15-8-22(17(9-27)6-16(15)7-18)32-12-19-10-29-11-20(13-32)34-19;2*1-8-2-3-10-17(26)21(33-23(10)28-8)22(31)29-9-4-11-12(24)5-13(16(25)20(11)32-7-9)30-14-6-27-18-15(14)19(18)30;1-9-26-22-20(32-9)18(25)19(33-22)21(30)28-12-4-13-15(31-8-12)5-14(17(24)16(13)23)29-6-10-2-3-11(7-29)27-10/h2,5-6,8,18-20,29H,3-4,7,10-13,28H2,1H3,(H,31,33);2*2-3,5,9,14-15,18-19,27H,4,6-7,26H2,1H3,(H,29,31);5,10-12,27H,2-4,6-8,25H2,1H3,(H,28,30)/t18-,19?,20?;9-,14?,15?,18+,19?;9-,14?,15?,18-,19?;10?,11?,12-/m0111/s1.
What are the key properties of 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1919.24 g/mol, XLogP of 10.44, 12 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-7-cyano-6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;6-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-5,6-difluoro-3,4-dihydro-2H-chromen-3-yl]-2-methylthieno[2,3-d][1,3]thiazole-5-carboxamide;3-amino-N-[(3R)-7-[(2S,5S)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(2R,5R)-3,6-diazatricyclo[3.2.0.02,7]heptan-6-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167584487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).