About 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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 (PubChem CID 157109968) has the molecular formula C143H144F4N22O19
and a molecular weight of 2550.85 g/mol. Its IUPAC name is 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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.
Frequently Asked Questions
What is the IUPAC name of 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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?
The IUPAC name of 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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 (CID 157109968) is 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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.
What is the SMILES notation for 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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?
The canonical SMILES for 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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 is CC(CNc1c(F)cc2c(=O)c(C(=O)NCCC3CCCN3C)cn3c2c1Oc1cc2ccccc2cc1-3)c1ccccc1.CN1CCCC1CCNC(=O)c1cn2c3cc4oc5cc([N+](=O)[O-])ccc5[nH]c4cc3oc3c(NCCC4CCCN4C)c(F)cc(c1=O)c32.CN1CCCC1CCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCCC3)cn3c4cc5oc6cc([N+](=O)[O-])ccc6[nH]c5cc4oc1c23.COc1ccc(CCNc2c(F)cc3c(=O)c(C(=O)NCCC4CCCN4C)cn4c3c2Oc2cc3ccccc3cc2-4)cc1.
What is the InChIKey of 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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?
The InChIKey is AGSRWYDIOONIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38FN7O6.C36H35FN4O4.C36H35FN4O3.C35H36FN7O6/c1-41-13-3-5-20(41)9-11-38-32-25(37)16-23-33-35(32)50-31-17-27-30(49-29-15-22(44(47)48)7-8-26(29)40-27)18-28(31)43(33)19-24(34(23)45)36(46)39-12-10-21-6-4-14-42(21)2;1-40-17-5-8-25(40)14-16-39-36(43)28-21-41-30-18-23-6-3-4-7-24(23)19-31(30)45-35-32(29(37)20-27(33(35)41)34(28)42)38-15-13-22-9-11-26(44-2)12-10-22;1-22(23-9-4-3-5-10-23)20-39-32-29(37)19-27-33-35(32)44-31-18-25-12-7-6-11-24(25)17-30(31)41(33)21-28(34(27)42)36(43)38-15-14-26-13-8-16-40(26)2;1-40-11-4-5-20(40)8-9-37-31-24(36)16-22-32-34(31)49-30-17-26-29(48-28-15-21(43(46)47)6-7-25(28)39-26)18-27(30)42(32)19-23(33(22)44)35(45)38-10-14-41-12-2-3-13-41/h7-8,15-21,38,40H,3-6,9-14H2,1-2H3,(H,39,46);3-4,6-7,9-12,18-21,25,38H,5,8,13-17H2,1-2H3,(H,39,43);3-7,9-12,17-19,21-22,26,39H,8,13-16,20H2,1-2H3,(H,38,43);6-7,15-20,37,39H,2-5,8-14H2,1H3,(H,38,45).
What are the key properties of 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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 has a molecular weight of 2550.85 g/mol, XLogP of 24.99, 35 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 15-fluoro-14-[2-(4-methoxyphenyl)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;19-fluoro-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-N-(2-pyrrolidin-1-ylethyl)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;19-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-[2-(1-methylpyrrolidin-2-yl)ethylamino]-8-nitro-22-oxo-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(2-phenylpropylamino)-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 is sourced from PubChem (CID 157109968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).