About 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 157251310) has the molecular formula C115H95ClN34O6
and a molecular weight of 2084.71 g/mol. Its IUPAC name is 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
Frequently Asked Questions
What is the IUPAC name of 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 157251310) is 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is COCc1nnc2n1Cc1c(C#Cc3ccn4ccnc4c3)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(C#Cc3cnc(C)n3C)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(C#Cc3cnc(C)n3C)ncn1-c1ccc(Cl)cc1-2.COCc1nnc2n1Cc1c(C#Cc3cnc4occc4c3)ncn1-c1ccc(C)cc1-2.COCc1nnc2n1Cc1c(C#Cc3cnn4ccccc34)ncn1-c1ccc(C)cc1-2.
What is the InChIKey of 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is AWJLHQKFBAQGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19N7O.C24H18N6O2.C22H21N7O.C21H18ClN7O/c1-16-3-6-20-18(11-16)24-28-27-23(14-32-2)30(24)13-21-19(26-15-31(20)21)5-4-17-7-9-29-10-8-25-22(29)12-17;1-16-6-9-21-18(11-16)24-28-27-23(14-32-2)29(24)13-22-19(25-15-30(21)22)8-7-17-12-26-31-10-4-3-5-20(17)31;1-15-3-6-20-18(9-15)23-28-27-22(13-31-2)29(23)12-21-19(26-14-30(20)21)5-4-16-10-17-7-8-32-24(17)25-11-16;1-14-5-8-19-17(9-14)22-26-25-21(12-30-4)28(22)11-20-18(24-13-29(19)20)7-6-16-10-23-15(2)27(16)3;1-13-23-9-15(27(13)2)5-6-17-19-10-28-20(11-30-3)25-26-21(28)16-8-14(22)4-7-18(16)29(19)12-24-17/h3,6-12,15H,13-14H2,1-2H3;3-6,9-12,15H,13-14H2,1-2H3;3,6-11,14H,12-13H2,1-2H3;5,8-10,13H,11-12H2,1-4H3;4,7-9,12H,10-11H2,1-3H3.
What are the key properties of 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 2084.71 g/mol, XLogP of 14.60, 10 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-(2-imidazo[1,2-a]pyridin-7-ylethynyl)-9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene;5-[2-[9-(methoxymethyl)-15-methyl-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]ethynyl]furo[2,3-b]pyridine;9-(methoxymethyl)-15-methyl-5-(2-pyrazolo[1,5-a]pyridin-3-ylethynyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 157251310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).