tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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

C176H183F5N28O23 — CID 157142020

About tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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

tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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 (PubChem CID 157142020) has the molecular formula C176H183F5N28O23 and a molecular weight of 3153.56 g/mol. Its IUPAC name is tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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.

Molecular Properties

• Compound Name: tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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
• PubChem CID: 157142020
• Molecular Formula: C176H183F5N28O23
• Molecular Weight: 3153.56 g/mol
• Exact Mass: 3151.39
• IUPAC Name: tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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
• SMILES: CC(C)(C)OC(=O)NC1CCN(c2c(F)c(N)c3c(=O)c(C(=O)N4CCOCC4)cn4c3c2Oc2cc3ccccc3cc2-4)C1.CN(C)CCCCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCCC3)cn3c4cc5c(cc4oc1c23)c(=O)c1ccccc15.CN1CCCC1CCNC(=O)c1cn2c3c(c(N4CCC(c5cnccn5)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.CN1CCCC1CCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCOCC3)cn3c4cc5c(cc4oc1c23)c(=O)c1ccccc15.CN1CCN(CCCNC(=O)c2cn3c4c(c(N5CCC(NC(=O)OC(C)(C)C)C5)c(F)c(N)c4c2=O)Oc2cc4ccccc4cc2-3)CC1
• InChI: InChI=1S/C37H44FN7O5.C36H36FN5O5.C35H33FN6O3.C35H36FN5O4.C33H34FN5O6/c1-37(2,3)50-36(48)41-24-10-13-44(20-24)32-29(38)30(39)28-31-34(32)49-27-19-23-9-6-5-8-22(23)18-26(27)45(31)21-25(33(28)46)35(47)40-11-7-12-43-16-14-42(4)15-17-43;1-40-11-4-5-21(40)8-9-38-31-28(37)17-26-32-35(31)47-30-19-25-24(22-6-2-3-7-23(22)33(25)43)18-29(30)42(32)20-27(34(26)44)36(45)39-10-12-41-13-15-46-16-14-41;1-40-13-4-7-24(40)8-10-39-35(44)26-20-42-29-15-21-5-2-3-6-22(21)16-30(29)45-34-31(42)25(33(26)43)17-27(36)32(34)41-14-9-23(19-41)28-18-37-11-12-38-28;1-39(2)13-6-5-11-37-30-27(36)17-25-31-34(30)45-29-19-24-23(21-9-3-4-10-22(21)32(24)42)18-28(29)41(31)20-26(33(25)43)35(44)38-12-16-40-14-7-8-15-40;1-33(2,3)45-32(42)36-20-8-9-38(16-20)28-25(34)26(35)24-27-30(28)44-23-15-19-7-5-4-6-18(19)14-22(23)39(27)17-21(29(24)40)31(41)37-10-12-43-13-11-37/h5-6,8-9,18-19,21,24H,7,10-17,20,39H2,1-4H3,(H,40,47)(H,41,48);2-3,6-7,17-21,38H,4-5,8-16H2,1H3,(H,39,45);2-3,5-6,11-12,15-18,20,23-24H,4,7-10,13-14,19H2,1H3,(H,39,44);3-4,9-10,17-20,37H,5-8,11-16H2,1-2H3,(H,38,44);4-7,14-15,17,20H,8-13,16,35H2,1-3H3,(H,36,42)
• InChIKey: AKHIGZXUHZWIOH-UHFFFAOYSA-N
• XLogP: 23.80
• TPSA: 563.18 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3153.56
LogP ≤ 5	23.80
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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?

The IUPAC name of tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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 (CID 157142020) is tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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.

What is the SMILES notation for tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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?

The canonical SMILES for tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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 is CC(C)(C)OC(=O)NC1CCN(c2c(F)c(N)c3c(=O)c(C(=O)N4CCOCC4)cn4c3c2Oc2cc3ccccc3cc2-4)C1.CN(C)CCCCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCCC3)cn3c4cc5c(cc4oc1c23)c(=O)c1ccccc15.CN1CCCC1CCNC(=O)c1cn2c3c(c(N4CCC(c5cnccn5)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.CN1CCCC1CCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCOCC3)cn3c4cc5c(cc4oc1c23)c(=O)c1ccccc15.CN1CCN(CCCNC(=O)c2cn3c4c(c(N5CCC(NC(=O)OC(C)(C)C)C5)c(F)c(N)c4c2=O)Oc2cc4ccccc4cc2-3)CC1.

What is the InChIKey of tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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?

The InChIKey is AKHIGZXUHZWIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44FN7O5.C36H36FN5O5.C35H33FN6O3.C35H36FN5O4.C33H34FN5O6/c1-37(2,3)50-36(48)41-24-10-13-44(20-24)32-29(38)30(39)28-31-34(32)49-27-19-23-9-6-5-8-22(23)18-26(27)45(31)21-25(33(28)46)35(47)40-11-7-12-43-16-14-42(4)15-17-43;1-40-11-4-5-21(40)8-9-38-31-28(37)17-26-32-35(31)47-30-19-25-24(22-6-2-3-7-23(22)33(25)43)18-29(30)42(32)20-27(34(26)44)36(45)39-10-12-41-13-15-46-16-14-41;1-40-13-4-7-24(40)8-10-39-35(44)26-20-42-29-15-21-5-2-3-6-22(21)16-30(29)45-34-31(42)25(33(26)43)17-27(36)32(34)41-14-9-23(19-41)28-18-37-11-12-38-28;1-39(2)13-6-5-11-37-30-27(36)17-25-31-34(30)45-29-19-24-23(21-9-3-4-10-22(21)32(24)42)18-28(29)41(31)20-26(33(25)43)35(44)38-12-16-40-14-7-8-15-40;1-33(2,3)45-32(42)36-20-8-9-38(16-20)28-25(34)26(35)24-27-30(28)44-23-15-19-7-5-4-6-18(19)14-22(23)39(27)17-21(29(24)40)31(41)37-10-12-43-13-11-37/h5-6,8-9,18-19,21,24H,7,10-17,20,39H2,1-4H3,(H,40,47)(H,41,48);2-3,6-7,17-21,38H,4-5,8-16H2,1H3,(H,39,45);2-3,5-6,11-12,15-18,20,23-24H,4,7-10,13-14,19H2,1H3,(H,39,44);3-4,9-10,17-20,37H,5-8,11-16H2,1-2H3,(H,38,44);4-7,14-15,17,20H,8-13,16,35H2,1-3H3,(H,36,42).

What are the key properties of tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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?

tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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 has a molecular weight of 3153.56 g/mol, XLogP of 23.80, 34 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[16-amino-15-fluoro-19-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;tert-butyl N-[1-[16-amino-15-fluoro-19-(morpholine-4-carbonyl)-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-nonaen-14-yl]pyrrolidin-3-yl]carbamate;17-[4-(dimethylamino)butylamino]-18-fluoro-11,21-dioxo-N-(2-pyrrolidin-1-ylethyl)-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-22-carboxamide;18-fluoro-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-N-(2-morpholin-4-ylethyl)-11,21-dioxo-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-22-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyrazin-2-ylpyrrolidin-1-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 is sourced from PubChem (CID 157142020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).