23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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

C175H179F5N28O21 — CID 157097026

About 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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

23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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 (PubChem CID 157097026) has the molecular formula C175H179F5N28O21 and a molecular weight of 3105.52 g/mol. Its IUPAC name is 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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.

Molecular Properties

• Compound Name: 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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
• PubChem CID: 157097026
• Molecular Formula: C175H179F5N28O21
• Molecular Weight: 3105.52 g/mol
• Exact Mass: 3103.37
• IUPAC Name: 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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
• SMILES: CN(C)CCCCNC(=O)c1cn2c3c(c(N4CC[C@@H](NC(=O)CCNCCCn5ccnc5)C4)c(F)cc3c1=O)Oc1cc3c(cc1-2)oc1ccccc13.CN(C)CCCCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCCC3)cn3c2c1Oc1c-3ccc2ccccc12.CN1CCCC1CCNC(=O)c1cn2c3c(c(N4CCC(NC(=O)CC(C)(C)C)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.NC1CCN(C(=O)c2cn3c4cc5c(=O)c6ccccc6c(=O)c5cc4oc4c(N5CCC(N)C5)c(F)cc(c2=O)c43)C1.N[C@H]1CCN(C(=O)c2cn3c4cc5c(cc4oc4c(NCCN6CCCC6)c(F)cc(c2=O)c43)c(=O)c2ccccc25)C1
• InChI: InChI=1S/C41H45FN8O5.C37H42FN5O4.C33H30FN5O4.C32H26FN5O5.C32H36FN5O3/c1-47(2)16-6-5-13-45-41(53)30-24-50-32-22-34-28(27-8-3-4-9-33(27)54-34)21-35(32)55-40-37(50)29(39(30)52)20-31(42)38(40)49-18-11-26(23-49)46-36(51)10-14-43-12-7-17-48-19-15-44-25-48;1-37(2,3)19-31(44)40-24-12-15-42(20-24)33-28(38)18-26-32-35(33)47-30-17-23-9-6-5-8-22(23)16-29(30)43(32)21-27(34(26)45)36(46)39-13-11-25-10-7-14-41(25)4;34-25-13-23-29-32(28(25)36-8-12-37-9-3-4-10-37)43-27-15-22-21(19-5-1-2-6-20(19)30(22)40)14-26(27)39(29)17-24(31(23)41)33(42)38-11-7-18(35)16-38;33-23-9-21-26-31(27(23)36-7-5-15(34)12-36)43-25-11-20-19(28(39)17-3-1-2-4-18(17)29(20)40)10-24(25)38(26)14-22(30(21)41)32(42)37-8-6-16(35)13-37;1-36(2)15-6-5-13-34-27-25(33)19-23-28-31(27)41-30-22-10-4-3-9-21(22)11-12-26(30)38(28)20-24(29(23)39)32(40)35-14-18-37-16-7-8-17-37/h3-4,8-9,15,19-22,24-26,43H,5-7,10-14,16-18,23H2,1-2H3,(H,45,53)(H,46,51);5-6,8-9,16-18,21,24-25H,7,10-15,19-20H2,1-4H3,(H,39,46)(H,40,44);1-2,5-6,13-15,17-18,36H,3-4,7-12,16,35H2;1-4,9-11,14-16H,5-8,12-13,34-35H2;3-4,9-12,19-20,34H,5-8,13-18H2,1-2H3,(H,35,40)/t26-;;18-;;/m1.0../s1
• InChIKey: AFIFCIPFXDVFSX-DDBPHOJGSA-N
• XLogP: 22.51
• TPSA: 571.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3105.52
LogP ≤ 5	22.51
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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?

The IUPAC name of 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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 (CID 157097026) is 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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.

What is the SMILES notation for 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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?

The canonical SMILES for 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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 is CN(C)CCCCNC(=O)c1cn2c3c(c(N4CC[C@@H](NC(=O)CCNCCCn5ccnc5)C4)c(F)cc3c1=O)Oc1cc3c(cc1-2)oc1ccccc13.CN(C)CCCCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCCC3)cn3c2c1Oc1c-3ccc2ccccc12.CN1CCCC1CCNC(=O)c1cn2c3c(c(N4CCC(NC(=O)CC(C)(C)C)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.NC1CCN(C(=O)c2cn3c4cc5c(=O)c6ccccc6c(=O)c5cc4oc4c(N5CCC(N)C5)c(F)cc(c2=O)c43)C1.N[C@H]1CCN(C(=O)c2cn3c4cc5c(cc4oc4c(NCCN6CCCC6)c(F)cc(c2=O)c43)c(=O)c2ccccc25)C1.

What is the InChIKey of 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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?

The InChIKey is AFIFCIPFXDVFSX-DDBPHOJGSA-N. The full InChI is InChI=1S/C41H45FN8O5.C37H42FN5O4.C33H30FN5O4.C32H26FN5O5.C32H36FN5O3/c1-47(2)16-6-5-13-45-41(53)30-24-50-32-22-34-28(27-8-3-4-9-33(27)54-34)21-35(32)55-40-37(50)29(39(30)52)20-31(42)38(40)49-18-11-26(23-49)46-36(51)10-14-43-12-7-17-48-19-15-44-25-48;1-37(2,3)19-31(44)40-24-12-15-42(20-24)33-28(38)18-26-32-35(33)47-30-17-23-9-6-5-8-22(23)16-29(30)43(32)21-27(34(26)45)36(46)39-13-11-25-10-7-14-41(25)4;34-25-13-23-29-32(28(25)36-8-12-37-9-3-4-10-37)43-27-15-22-21(19-5-1-2-6-20(19)30(22)40)14-26(27)39(29)17-24(31(23)41)33(42)38-11-7-18(35)16-38;33-23-9-21-26-31(27(23)36-7-5-15(34)12-36)43-25-11-20-19(28(39)17-3-1-2-4-18(17)29(20)40)10-24(25)38(26)14-22(30(21)41)32(42)37-8-6-16(35)13-37;1-36(2)15-6-5-13-34-27-25(33)19-23-28-31(27)41-30-22-10-4-3-9-21(22)11-12-26(30)38(28)20-24(29(23)39)32(40)35-14-18-37-16-7-8-17-37/h3-4,8-9,15,19-22,24-26,43H,5-7,10-14,16-18,23H2,1-2H3,(H,45,53)(H,46,51);5-6,8-9,16-18,21,24-25H,7,10-15,19-20H2,1-4H3,(H,39,46)(H,40,44);1-2,5-6,13-15,17-18,36H,3-4,7-12,16,35H2;1-4,9-11,14-16H,5-8,12-13,34-35H2;3-4,9-12,19-20,34H,5-8,13-18H2,1-2H3,(H,35,40)/t26-;;18-;;/m1.0../s1.

What are the key properties of 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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?

23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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 has a molecular weight of 3105.52 g/mol, XLogP of 22.51, 39 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(3-aminopyrrolidine-1-carbonyl)-18-(3-aminopyrrolidin-1-yl)-19-fluoro-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-5,12,22-trione;22-[(3S)-3-aminopyrrolidine-1-carbonyl]-18-fluoro-17-(2-pyrrolidin-1-ylethylamino)-15-oxa-1-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-2(14),3,5,7,9,12,16(24),17,19,22-decaene-11,21-dione;14-[4-(dimethylamino)butylamino]-15-fluoro-18-oxo-N-(2-pyrrolidin-1-ylethyl)-12-oxa-1-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-2(11),3,5,7,9,13(21),14,16,19-nonaene-19-carboxamide;N-[4-(dimethylamino)butyl]-18-fluoro-17-[(3R)-3-[3-(3-imidazol-1-ylpropylamino)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;14-[3-(3,3-dimethylbutanoylamino)pyrrolidin-1-yl]-15-fluoro-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 is sourced from PubChem (CID 157097026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).