About (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
(7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 158619704) has the molecular formula C125H119F5N28O10
and a molecular weight of 2268.50 g/mol. Its IUPAC name is (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
Frequently Asked Questions
What is the IUPAC name of (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 158619704) is (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is CCCn1cc(-c2cc3c(cc2F)OCCC[C@H](C)n2ccnc2-c2cccc(n2)NC3=O)cn1.C[C@H]1CCCOc2cc(F)c(-c3ccncc3)cc2C(=O)Nc2cccc(n2)-c2nccn21.C[C@H]1CCCOc2cc(F)c(-c3cnn(C)c3)cc2C(=O)Nc2cccc(n2)-c2nccn21.Cc1cn(-c2cc3c(cc2F)OCCC[C@H](C)n2ccnc2-c2cccc(n2)NC3=O)cn1.Cc1cncc(-c2cc3c(cc2F)OCCC[C@H](C)n2ccnc2-c2cccc(n2)NC3=O)c1.
What is the InChIKey of (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is HXVOEEMPTNDQJJ-CMNDXBANSA-N. The full InChI is InChI=1S/C26H27FN6O2.C26H24FN5O2.C25H22FN5O2.2C24H23FN6O2/c1-3-10-32-16-18(15-29-32)19-13-20-23(14-21(19)27)35-12-5-6-17(2)33-11-9-28-25(33)22-7-4-8-24(30-22)31-26(20)34;1-16-11-18(15-28-14-16)19-12-20-23(13-21(19)27)34-10-4-5-17(2)32-9-8-29-25(32)22-6-3-7-24(30-22)31-26(20)33;1-16-4-3-13-33-22-15-20(26)18(17-7-9-27-10-8-17)14-19(22)25(32)30-23-6-2-5-21(29-23)24-28-11-12-31(16)24;1-15-13-30(14-27-15)20-11-17-21(12-18(20)25)33-10-4-5-16(2)31-9-8-26-23(31)19-6-3-7-22(28-19)29-24(17)32;1-15-5-4-10-33-21-12-19(25)17(16-13-27-30(2)14-16)11-18(21)24(32)29-22-7-3-6-20(28-22)23-26-8-9-31(15)23/h4,7-9,11,13-17H,3,5-6,10,12H2,1-2H3,(H,30,31,34);3,6-9,11-15,17H,4-5,10H2,1-2H3,(H,30,31,33);2,5-12,14-16H,3-4,13H2,1H3,(H,29,30,32);3,6-9,11-14,16H,4-5,10H2,1-2H3,(H,28,29,32);3,6-9,11-15H,4-5,10H2,1-2H3,(H,28,29,32)/t2*17-;2*16-;15-/m00000/s1.
What are the key properties of (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
(7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 2268.50 g/mol, XLogP of 24.95, 7 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-14-fluoro-7-methyl-15-(4-methylimidazol-1-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-methylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(5-methyl-3-pyridinyl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-(1-propylpyrazol-4-yl)-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one;(7S)-14-fluoro-7-methyl-15-pyridin-4-yl-11-oxa-3,6,19,24-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 158619704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).