About 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone
2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone (PubChem CID 159933584) has the molecular formula C132H142F13N21O7
and a molecular weight of 2381.70 g/mol. Its IUPAC name is 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone.
Frequently Asked Questions
What is the IUPAC name of 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone (CID 159933584) is 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone is C#Cc1cc(F)c(CC2CCC[C@@H](CC(=O)N3CC[C@@H](F)C3)C2)nc1-c1c[nH]c2ncc(F)cc12.C#Cc1cc(F)c(C[C@H]2CCC[C@@H](CC(=O)N3CCOCC3)C2)nc1-c1c[nH]c2ncc(F)cc12.C=C(N)c1cc(F)c(C[C@H]2CCC[C@@H](CC(=O)N3CCOCC3)C2)nc1-c1c[nH]c2ncc(F)cc12.C[C@@H]1CCN(C(=O)C[C@@H]2CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)c(F)cc3F)C2)C1.O=C(C[C@@H]1CCC[C@H](Cc2nc(-c3c[nH]c4ncc(F)cc34)c(F)cc2F)C1)N1CCCC1.
What is the InChIKey of 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone?
The InChIKey is NZYMDCYGCIGYIP-NCOKPLQOSA-N. The full InChI is InChI=1S/C27H27F3N4O.C27H31F2N5O2.C27H28F2N4O2.C26H29F3N4O.C25H27F3N4O/c1-2-18-11-23(30)24(33-26(18)22-14-32-27-21(22)12-20(29)13-31-27)9-16-4-3-5-17(8-16)10-25(35)34-7-6-19(28)15-34;1-16(30)20-13-23(29)24(33-26(20)22-15-32-27-21(22)12-19(28)14-31-27)10-17-3-2-4-18(9-17)11-25(35)34-5-7-36-8-6-34;1-2-19-13-23(29)24(32-26(19)22-16-31-27-21(22)14-20(28)15-30-27)11-17-4-3-5-18(10-17)12-25(34)33-6-8-35-9-7-33;1-15-5-6-33(14-15)24(34)9-17-4-2-3-16(7-17)8-23-21(28)11-22(29)25(32-23)20-13-31-26-19(20)10-18(27)12-30-26;26-17-11-18-19(14-30-25(18)29-13-17)24-21(28)12-20(27)22(31-24)9-15-4-3-5-16(8-15)10-23(33)32-6-1-2-7-32/h1,11-14,16-17,19H,3-10,15H2,(H,31,32);12-15,17-18H,1-11,30H2,(H,31,32);1,13-18H,3-12H2,(H,30,31);10-13,15-17H,2-9,14H2,1H3,(H,30,31);11-16H,1-10H2,(H,29,30)/t16?,17-,19-;2*17-,18+;15-,16+,17-;15-,16+/m10010/s1.
What are the key properties of 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone?
2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone has a molecular weight of 2381.70 g/mol, XLogP of 25.16, 26 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-[[5-(1-aminoethenyl)-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-pyrrolidin-1-ylethanone;2-[(1R)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanone;2-[(1R,3S)-3-[[5-ethynyl-3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]methyl]cyclohexyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 159933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).