About 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone
2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone (PubChem CID 159496644) has the molecular formula C150H153F15N30O3
and a molecular weight of 2709.05 g/mol. Its IUPAC name is 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone (CID 159496644) is 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone is CC(=O)n1ccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.CC(=O)n1ccc2c(N[C@@H]3C4CCC(CC4)[C@H]3C)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.CC(=O)n1ccc2c(N[C@H]3C4CCC(CC4)[C@@H]3C)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2CCF.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2CCF.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1ccn2CCF.
What is the InChIKey of 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone?
The InChIKey is LYWFMGWIVQULFK-VICLKFGQSA-N. The full InChI is InChI=1S/3C25H26F3N5.3C25H25F2N5O/c3*1-13-14-2-4-15(5-3-14)21(13)30-23-17-6-8-33(9-7-26)25(17)32-24(31-23)19-12-29-22-18(19)10-16(27)11-20(22)28;3*1-12-14-3-5-15(6-4-14)21(12)29-23-17-7-8-32(13(2)33)25(17)31-24(30-23)19-11-28-22-18(19)9-16(26)10-20(22)27/h3*6,8,10-15,21,29H,2-5,7,9H2,1H3,(H,30,31,32);3*7-12,14-15,21,28H,3-6H2,1-2H3,(H,29,30,31)/t2*13-,14?,15?,21+;;2*12-,14?,15?,21+;/m10.10./s1.
What are the key properties of 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone?
2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone has a molecular weight of 2709.05 g/mol, XLogP of 35.46, 24 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-7-(2-fluoroethyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone;1-[2-(5,7-difluoro-1H-indol-3-yl)-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 159496644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).