14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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

C171H178F5N25O19 — CID 159516508

About 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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

14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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 159516508) has the molecular formula C171H178F5N25O19 and a molecular weight of 2982.45 g/mol. Its IUPAC name is 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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: 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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: 159516508
• Molecular Formula: C171H178F5N25O19
• Molecular Weight: 2982.45 g/mol
• Exact Mass: 2980.37
• IUPAC Name: 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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: CC(=O)N1CCN(C(=O)c2cn3c4c(c(N5CCC(N)C5)c(F)cc4c2=O)Oc2cc4ccccc4cc2-3)CC1.CC(C)(C)OC(=O)N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)NCCN4CCCC4)cn4c5cc6c(cc5oc2c34)c(=O)c2ccccc26)C1.CC1(C)CC(NC(=O)c2cn3c4c(c(N5CC6CCCNC6C5)c(F)cc4c2=O)Oc2cc4ccccc4cc2-3)CC(C)(C)N1.CN1CCCC1CCNC(=O)c1cn2c3c(c(N[C@@H]4CN5CCC4CC5)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.CN1CCCC1CCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCCC3)cn3c2c1Oc1cc2ccccc2cc1-3
• InChI: InChI=1S/C38H38FN5O6.C36H40FN5O3.C34H36FN5O3.C33H36FN5O3.C30H28FN5O4/c1-38(2,3)50-37(48)41-21-10-14-43(19-21)32-28(39)16-26-31-35(32)49-30-18-25-24(22-8-4-5-9-23(22)33(25)45)17-29(30)44(31)20-27(34(26)46)36(47)40-11-15-42-12-6-7-13-42;1-35(2)15-23(16-36(3,4)40-35)39-34(44)25-18-42-28-12-20-8-5-6-9-21(20)13-29(28)45-33-30(42)24(32(25)43)14-26(37)31(33)41-17-22-10-7-11-38-27(22)19-41;1-38-12-4-7-23(38)8-11-36-34(42)25-18-40-28-15-21-5-2-3-6-22(21)16-29(28)43-33-30(26(35)17-24(31(33)40)32(25)41)37-27-19-39-13-9-20(27)10-14-39;1-37-13-6-9-23(37)10-11-35-29-26(34)19-24-30-32(29)42-28-18-22-8-3-2-7-21(22)17-27(28)39(30)20-25(31(24)40)33(41)36-12-16-38-14-4-5-15-38;1-17(37)33-8-10-34(11-9-33)30(39)22-16-36-24-12-18-4-2-3-5-19(18)13-25(24)40-29-26(36)21(28(22)38)14-23(31)27(29)35-7-6-20(32)15-35/h4-5,8-9,16-18,20-21H,6-7,10-15,19H2,1-3H3,(H,40,47)(H,41,48);5-6,8-9,12-14,18,22-23,27,38,40H,7,10-11,15-17,19H2,1-4H3,(H,39,44);2-3,5-6,15-18,20,23,27,37H,4,7-14,19H2,1H3,(H,36,42);2-3,7-8,17-20,23,35H,4-6,9-16H2,1H3,(H,36,41);2-5,12-14,16,20H,6-11,15,32H2,1H3/t21-;;23?,27-;;/m0.1../s1
• InChIKey: MBGNSRWOEKZVIC-RBRWOKEBSA-N
• XLogP: 24.44
• TPSA: 472.02 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2982.45
LogP ≤ 5	24.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'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 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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 159516508) is 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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(=O)N1CCN(C(=O)c2cn3c4c(c(N5CCC(N)C5)c(F)cc4c2=O)Oc2cc4ccccc4cc2-3)CC1.CC(C)(C)OC(=O)N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)NCCN4CCCC4)cn4c5cc6c(cc5oc2c34)c(=O)c2ccccc26)C1.CC1(C)CC(NC(=O)c2cn3c4c(c(N5CC6CCCNC6C5)c(F)cc4c2=O)Oc2cc4ccccc4cc2-3)CC(C)(C)N1.CN1CCCC1CCNC(=O)c1cn2c3c(c(N[C@@H]4CN5CCC4CC5)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.CN1CCCC1CCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCCC3)cn3c2c1Oc1cc2ccccc2cc1-3.

What is the InChIKey of 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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 MBGNSRWOEKZVIC-RBRWOKEBSA-N. The full InChI is InChI=1S/C38H38FN5O6.C36H40FN5O3.C34H36FN5O3.C33H36FN5O3.C30H28FN5O4/c1-38(2,3)50-37(48)41-21-10-14-43(19-21)32-28(39)16-26-31-35(32)49-30-18-25-24(22-8-4-5-9-23(22)33(25)45)17-29(30)44(31)20-27(34(26)46)36(47)40-11-15-42-12-6-7-13-42;1-35(2)15-23(16-36(3,4)40-35)39-34(44)25-18-42-28-12-20-8-5-6-9-21(20)13-29(28)45-33-30(42)24(32(25)43)14-26(37)31(33)41-17-22-10-7-11-38-27(22)19-41;1-38-12-4-7-23(38)8-11-36-34(42)25-18-40-28-15-21-5-2-3-6-22(21)16-29(28)43-33-30(26(35)17-24(31(33)40)32(25)41)37-27-19-39-13-9-20(27)10-14-39;1-37-13-6-9-23(37)10-11-35-29-26(34)19-24-30-32(29)42-28-18-22-8-3-2-7-21(22)17-27(28)39(30)20-25(31(24)40)33(41)36-12-16-38-14-4-5-15-38;1-17(37)33-8-10-34(11-9-33)30(39)22-16-36-24-12-18-4-2-3-5-19(18)13-25(24)40-29-26(36)21(28(22)38)14-23(31)27(29)35-7-6-20(32)15-35/h4-5,8-9,16-18,20-21H,6-7,10-15,19H2,1-3H3,(H,40,47)(H,41,48);5-6,8-9,12-14,18,22-23,27,38,40H,7,10-11,15-17,19H2,1-4H3,(H,39,44);2-3,5-6,15-18,20,23,27,37H,4,7-14,19H2,1H3,(H,36,42);2-3,7-8,17-20,23,35H,4-6,9-16H2,1H3,(H,36,41);2-5,12-14,16,20H,6-11,15,32H2,1H3/t21-;;23?,27-;;/m0.1../s1.

What are the key properties of 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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?

14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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 2982.45 g/mol, XLogP of 24.44, 25 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-15-fluoro-18-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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-(4-acetylpiperazine-1-carbonyl)-14-(3-aminopyrrolidin-1-yl)-15-fluoro-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13(21),14,16,19-nonaen-18-one;14-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-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;tert-butyl N-[(3S)-1-[18-fluoro-11,21-dioxo-22-(2-pyrrolidin-1-ylethylcarbamoyl)-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;15-fluoro-14-[2-(1-methylpyrrolidin-2-yl)ethylamino]-18-oxo-N-(2-pyrrolidin-1-ylethyl)-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 159516508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).