tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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

C142H151F4N23O17 — CID 160758226

About tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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

tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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 (PubChem CID 160758226) has the molecular formula C142H151F4N23O17 and a molecular weight of 2527.91 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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.

Molecular Properties

• Compound Name: tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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
• PubChem CID: 160758226
• Molecular Formula: C142H151F4N23O17
• Molecular Weight: 2527.91 g/mol
• Exact Mass: 2526.16
• IUPAC Name: tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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
• SMILES: CN(C)CCCCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCOCC3)cn3c2c1Oc1c-3ccc2ccccc12.CN1CCN(CCCNC(=O)c2cn3c4cc5c(cc4oc4c(N6CC[C@H](NC(=O)OC(C)(C)C)C6)c(F)cc(c2=O)c43)c(=O)c2ccccc25)CC1.CN1CCN(CCCNC(=O)c2cn3c4cc5c(cc4oc4c(NCCC6CCCN6C)c(F)cc(c2=O)c43)c(=O)c2ccccc25)CC1.O=C(NCCCn1ccnc1)c1cn2c3c(c(NCCN4CCCC4)c(F)cc3c1=O)Oc1c-2ccc2ccccc12
• InChI: InChI=1S/C40H43FN6O6.C38H41FN6O4.C32H31FN6O3.C32H36FN5O4/c1-40(2,3)53-39(51)43-23-10-13-46(21-23)34-30(41)18-28-33-37(34)52-32-20-27-26(24-8-5-6-9-25(24)35(27)48)19-31(32)47(33)22-29(36(28)49)38(50)42-11-7-12-45-16-14-44(4)15-17-45;1-42-15-17-44(18-16-42)14-6-11-41-38(48)29-22-45-31-20-26-24-8-3-4-9-25(24)35(46)27(26)21-32(31)49-37-33(30(39)19-28(34(37)45)36(29)47)40-12-10-23-7-5-13-43(23)2;33-25-18-23-28-31(27(25)35-12-17-37-13-3-4-14-37)42-30-22-7-2-1-6-21(22)8-9-26(30)39(28)19-24(29(23)40)32(41)36-10-5-15-38-16-11-34-20-38;1-36(2)13-6-5-11-34-27-25(33)19-23-28-31(27)42-30-22-8-4-3-7-21(22)9-10-26(30)38(28)20-24(29(23)39)32(40)35-12-14-37-15-17-41-18-16-37/h5-6,8-9,18-20,22-23H,7,10-17,21H2,1-4H3,(H,42,50)(H,43,51);3-4,8-9,19-23,40H,5-7,10-18H2,1-2H3,(H,41,48);1-2,6-9,11,16,18-20,35H,3-5,10,12-15,17H2,(H,36,41);3-4,7-10,19-20,34H,5-6,11-18H2,1-2H3,(H,35,40)/t23-;;;/m0.../s1
• InChIKey: RXSDJKWRTGXDEQ-AQUVTFJZSA-N
• XLogP: 18.74
• TPSA: 412.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2527.91
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'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 tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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?

The IUPAC name of tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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 (CID 160758226) is tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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.

What is the SMILES notation for tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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?

The canonical SMILES for tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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 is CN(C)CCCCNc1c(F)cc2c(=O)c(C(=O)NCCN3CCOCC3)cn3c2c1Oc1c-3ccc2ccccc12.CN1CCN(CCCNC(=O)c2cn3c4cc5c(cc4oc4c(N6CC[C@H](NC(=O)OC(C)(C)C)C6)c(F)cc(c2=O)c43)c(=O)c2ccccc25)CC1.CN1CCN(CCCNC(=O)c2cn3c4cc5c(cc4oc4c(NCCC6CCCN6C)c(F)cc(c2=O)c43)c(=O)c2ccccc25)CC1.O=C(NCCCn1ccnc1)c1cn2c3c(c(NCCN4CCCC4)c(F)cc3c1=O)Oc1c-2ccc2ccccc12.

What is the InChIKey of tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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?

The InChIKey is RXSDJKWRTGXDEQ-AQUVTFJZSA-N. The full InChI is InChI=1S/C40H43FN6O6.C38H41FN6O4.C32H31FN6O3.C32H36FN5O4/c1-40(2,3)53-39(51)43-23-10-13-46(21-23)34-30(41)18-28-33-37(34)52-32-20-27-26(24-8-5-6-9-25(24)35(27)48)19-31(32)47(33)22-29(36(28)49)38(50)42-11-7-12-45-16-14-44(4)15-17-45;1-42-15-17-44(18-16-42)14-6-11-41-38(48)29-22-45-31-20-26-24-8-3-4-9-25(24)35(46)27(26)21-32(31)49-37-33(30(39)19-28(34(37)45)36(29)47)40-12-10-23-7-5-13-43(23)2;33-25-18-23-28-31(27(25)35-12-17-37-13-3-4-14-37)42-30-22-7-2-1-6-21(22)8-9-26(30)39(28)19-24(29(23)40)32(41)36-10-5-15-38-16-11-34-20-38;1-36(2)13-6-5-11-34-27-25(33)19-23-28-31(27)42-30-22-8-4-3-7-21(22)9-10-26(30)38(28)20-24(29(23)39)32(40)35-12-14-37-15-17-41-18-16-37/h5-6,8-9,18-20,22-23H,7,10-17,21H2,1-4H3,(H,42,50)(H,43,51);3-4,8-9,19-23,40H,5-7,10-18H2,1-2H3,(H,41,48);1-2,6-9,11,16,18-20,35H,3-5,10,12-15,17H2,(H,36,41);3-4,7-10,19-20,34H,5-6,11-18H2,1-2H3,(H,35,40)/t23-;;;/m0.../s1.

What are the key properties of tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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?

tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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 has a molecular weight of 2527.91 g/mol, XLogP of 18.74, 35 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S)-1-[18-fluoro-22-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]-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-decaen-17-yl]pyrrolidin-3-yl]carbamate;14-[4-(dimethylamino)butylamino]-15-fluoro-N-(2-morpholin-4-ylethyl)-18-oxo-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;15-fluoro-N-(3-imidazol-1-ylpropyl)-18-oxo-14-(2-pyrrolidin-1-ylethylamino)-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;18-fluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-17-[2-(1-methylpyrrolidin-2-yl)ethylamino]-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 is sourced from PubChem (CID 160758226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).