About 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine
2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157361306) has the molecular formula C142H148Cl4F8N32
and a molecular weight of 2596.77 g/mol. Its IUPAC name is 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine.
Frequently Asked Questions
What is the IUPAC name of 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 157361306) is 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(Cl)cc(F)cc23)nc2c1ccn2C.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1cnn2C.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(Cl)cc(F)cc23)nc2c1ccn2C.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc2c1cnn2C.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3c(Cl)cc(F)cc23)nc2c1ccn2C.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3c(F)cc(Cl)cc23)nc2c1ccn2C.
What is the InChIKey of 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BIRBJHVBNCMQST-VQGIMFSTSA-N. The full InChI is InChI=1S/4C24H25ClFN5.2C23H24F2N6/c3*1-12-13-3-5-14(6-4-13)20(12)28-22-16-7-8-31(2)24(16)30-23(29-22)18-11-27-21-17(18)9-15(26)10-19(21)25;1-12-13-3-5-14(6-4-13)20(12)28-22-16-7-8-31(2)24(16)30-23(29-22)18-11-27-21-17(18)9-15(25)10-19(21)26;2*1-11-12-3-5-13(6-4-12)19(11)28-22-17-10-27-31(2)23(17)30-21(29-22)16-9-26-20-15(16)7-14(24)8-18(20)25/h4*7-14,20,27H,3-6H2,1-2H3,(H,28,29,30);2*7-13,19,26H,3-6H2,1-2H3,(H,28,29,30)/t2*12-,13?,14?,20+;;12-,13?,14?,20+;11-,12?,13?,19+;/m10.01./s1.
What are the key properties of 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2596.77 g/mol, XLogP of 34.64, 18 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(7-chloro-5-fluoro-1H-indol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-(5,7-difluoro-1H-indol-3-yl)-1-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157361306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).