About [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone
[(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 159868775) has the molecular formula C110H121F5N24O8
and a molecular weight of 2002.33 g/mol. Its IUPAC name is [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone.
Frequently Asked Questions
What is the IUPAC name of [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 159868775) is [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone is COc1cc(C(=O)N2CCCC3(CNC3)C2)cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12.COc1cc(C(=O)N2CC[C@@]3(CNCCC3(F)F)C2)cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12.COc1cc(C(=O)N2C[C@@H]3C[C@@H](N)[C@H]2C3)cc2nc(-c3cc4cccnc4n3CC3CC3)n(C)c12.Cn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)cc(OC(F)F)c21.
What is the InChIKey of [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is NSBKHHXPKNJLCG-ZLIIBQNYSA-N. The full InChI is InChI=1S/C29H32F2N6O2.C28H32N6O2.C27H30N6O2.C26H27F3N6O2/c1-35-24-21(34-26(35)22-13-19-4-3-9-33-25(19)37(22)15-18-5-6-18)12-20(14-23(24)39-2)27(38)36-11-8-28(17-36)16-32-10-7-29(28,30)31;1-32-24-21(31-26(32)22-12-19-5-3-9-30-25(19)34(22)14-18-6-7-18)11-20(13-23(24)36-2)27(35)33-10-4-8-28(17-33)15-29-16-28;1-31-24-20(10-18(12-23(24)35-2)27(34)33-14-16-8-19(28)21(33)9-16)30-26(31)22-11-17-4-3-7-29-25(17)32(22)13-15-5-6-15;1-33-22-19(32-24(33)20-8-15-3-2-6-31-23(15)35(20)11-14-4-5-14)7-16(9-21(22)37-26(28)29)25(36)34-12-17(27)10-18(30)13-34/h3-4,9,12-14,18,32H,5-8,10-11,15-17H2,1-2H3;3,5,9,11-13,18,29H,4,6-8,10,14-17H2,1-2H3;3-4,7,10-12,15-16,19,21H,5-6,8-9,13-14,28H2,1-2H3;2-3,6-9,14,17-18,26H,4-5,10-13,30H2,1H3/t28-;;16-,19-,21-;17-,18-/m1.11/s1.
What are the key properties of [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone?
[(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 2002.33 g/mol, XLogP of 15.99, 21 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4R,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone;[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-(difluoromethoxy)-1-methylbenzimidazol-5-yl]methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(2,6-diazaspiro[3.5]nonan-6-yl)methanone;[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(5R)-6,6-difluoro-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 159868775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).