About (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide (PubChem CID 159264150) has the molecular formula C105H102F21N43O6
and a molecular weight of 2461.22 g/mol. Its IUPAC name is (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The IUPAC name of (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide (CID 159264150) is (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The canonical SMILES for (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide is CC(C)(Nc1ccnc(-c2c[nH]c3ncncc23)n1)C(=O)NCC(F)(F)F.CC(C)C(C(=O)NCC(F)(F)F)N(C)c1nc(-c2c[nH]c3ncncc23)ncc1F.CC(C)[C@@H](Nc1ccnc(-c2c[nH]c3ncncc23)n1)C(=O)NCC(F)(F)F.CC(C)[C@@](C)(Nc1nc(-c2c[nH]c3ncncc23)ncc1F)C(=O)NCC(F)(F)F.O=C(NCC(F)(F)F)C(Nc1nc(-c2c[nH]c3ncncc23)ncc1F)c1cccnc1.O=C(NCC(F)(F)F)C1(Nc2ccnc(-c3c[nH]c4ncncc34)n2)CCC1.
What is the InChIKey of (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
The InChIKey is KWWPPLULFYMYRS-QLJJXJMOSA-N. The full InChI is InChI=1S/C19H14F4N8O.2C18H19F4N7O.C17H16F3N7O.C17H18F3N7O.C16H16F3N7O/c20-13-7-27-16(12-6-26-15-11(12)5-25-9-29-15)31-17(13)30-14(10-2-1-3-24-4-10)18(32)28-8-19(21,22)23;1-9(2)17(3,16(30)26-7-18(20,21)22)29-15-12(19)6-25-14(28-15)11-5-24-13-10(11)4-23-8-27-13;1-9(2)13(17(30)26-7-18(20,21)22)29(3)16-12(19)6-25-15(28-16)11-5-24-14-10(11)4-23-8-27-14;18-17(19,20)8-24-15(28)16(3-1-4-16)27-12-2-5-22-14(26-12)11-7-23-13-10(11)6-21-9-25-13;1-9(2)13(16(28)24-7-17(18,19)20)26-12-3-4-22-15(27-12)11-6-23-14-10(11)5-21-8-25-14;1-15(2,14(27)23-7-16(17,18)19)26-11-3-4-21-13(25-11)10-6-22-12-9(10)5-20-8-24-12/h1-7,9,14H,8H2,(H,28,32)(H,25,26,29)(H,27,30,31);4-6,8-9H,7H2,1-3H3,(H,26,30)(H,23,24,27)(H,25,28,29);4-6,8-9,13H,7H2,1-3H3,(H,26,30)(H,23,24,27);2,5-7,9H,1,3-4,8H2,(H,24,28)(H,21,23,25)(H,22,26,27);3-6,8-9,13H,7H2,1-2H3,(H,24,28)(H,21,23,25)(H,22,26,27);3-6,8H,7H2,1-2H3,(H,23,27)(H,20,22,24)(H,21,25,26)/t;17-;;;13-;/m.1..1./s1.
What are the key properties of (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide?
(2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide has a molecular weight of 2461.22 g/mol, XLogP of 15.77, 34 rotatable bonds, 17 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-2-pyridin-3-yl-N-(2,2,2-trifluoroethyl)acetamide;2-[[5-fluoro-2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]-methylamino]-3-methyl-N-(2,2,2-trifluoroethyl)butanamide;(2R)-3-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)butanamide;2-methyl-2-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide;1-[[2-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 159264150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).