About N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide
N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide (PubChem CID 159110591) has the molecular formula C155H159F4N23O17
and a molecular weight of 2692.11 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide (CID 159110591) is N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide is CN(C)CCCCNC(=O)c1cn2c3cc4c(=O)c5ccccc5c(=O)c4cc3oc3c(NCCN4CCCC4)c(F)cc(c1=O)c32.CN1CCCC1CCNC(=O)c1cn2c3c(c(NCCc4c[nH]c5ccccc45)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.CN1CCN(CCCNC(=O)c2cn3c4c(c(N5CC[C@@H](NC(=O)CCNCCC6CCCN6C)C5)c(F)cc4c2=O)Oc2cc4c(cc2-3)oc2ccccc24)CC1.COc1ccc2c(CCNc3c(F)cc4c(=O)c(C(=O)NCCC5CCCN5C)cn5c4c3Oc3cc4ccccc4cc3-5)c[nH]c2c1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?
The InChIKey is KEKYAFCGZPTQIY-CNOLUUJOSA-N. The full InChI is InChI=1S/C44H53FN8O5.C38H36FN5O4.C37H34FN5O3.C36H36FN5O5/c1-49-19-21-51(22-20-49)17-6-13-47-44(56)33-27-53-35-25-37-31(30-8-3-4-9-36(30)57-37)24-38(35)58-43-40(53)32(42(33)55)23-34(45)41(43)52-18-12-28(26-52)48-39(54)11-15-46-14-10-29-7-5-16-50(29)2;1-43-15-5-8-25(43)12-14-41-38(46)29-21-44-32-16-22-6-3-4-7-23(22)17-33(32)48-37-34(30(39)19-28(35(37)44)36(29)45)40-13-11-24-20-42-31-18-26(47-2)9-10-27(24)31;1-42-16-6-9-25(42)13-15-40-37(45)28-21-43-31-17-22-7-2-3-8-23(22)18-32(31)46-36-33(29(38)19-27(34(36)43)35(28)44)39-14-12-24-20-41-30-11-5-4-10-26(24)30;1-40(2)13-6-5-11-39-36(46)26-20-42-28-18-23-24(33(44)22-10-4-3-9-21(22)32(23)43)19-29(28)47-35-30(38-12-16-41-14-7-8-15-41)27(37)17-25(31(35)42)34(26)45/h3-4,8-9,23-25,27-29,46H,5-7,10-22,26H2,1-2H3,(H,47,56)(H,48,54);3-4,6-7,9-10,16-21,25,40,42H,5,8,11-15H2,1-2H3,(H,41,46);2-5,7-8,10-11,17-21,25,39,41H,6,9,12-16H2,1H3,(H,40,45);3-4,9-10,17-20,38H,5-8,11-16H2,1-2H3,(H,39,46)/t28-,29?;;;/m1.../s1.
What are the key properties of N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide?
N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide has a molecular weight of 2692.11 g/mol, XLogP of 22.53, 40 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-19-fluoro-5,12,22-trioxo-18-(2-pyrrolidin-1-ylethylamino)-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-14-[2-(1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;15-fluoro-14-[2-(6-methoxy-1H-indol-3-yl)ethylamino]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaene-19-carboxamide;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[(3R)-3-[3-[2-(1-methylpyrrolidin-2-yl)ethylamino]propanoylamino]pyrrolidin-1-yl]-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxamide is sourced from PubChem (CID 159110591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).