16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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

C140H154F4N24O20 — CID 160614592

About 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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

16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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 (PubChem CID 160614592) has the molecular formula C140H154F4N24O20 and a molecular weight of 2568.91 g/mol. Its IUPAC name is 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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.

Molecular Properties

• Compound Name: 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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
• PubChem CID: 160614592
• Molecular Formula: C140H154F4N24O20
• Molecular Weight: 2568.91 g/mol
• Exact Mass: 2567.17
• IUPAC Name: 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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
• SMILES: CC(C)(C)OC(=O)NC1CCN(C(=O)c2cn3c4c(c(NCCCN5CCOCC5)c(F)c(N)c4c2=O)Oc2cc4ccccc4cc2-3)C1.CN(C)/C=N/CCCCNC(=O)c1cn2c3c(c(N4CC[C@@H](N)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.Nc1c(F)c(NCCCN2CCOCC2)c2c3c1c(=O)c(C(=O)NCCCN1CCOCC1)cn3-c1cc3ccccc3cc1O2.O=C(CCN1CCCC1)N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)NCCN4CCOCC4)cn4c3c2Oc2cc3c(cc2-4)oc2ccccc23)C1
• InChI: InChI=1S/C39H41FN6O6.C36H41FN6O6.C34H39FN6O5.C31H33FN6O3/c40-29-19-27-35-38(36(29)45-13-7-24(22-45)42-34(47)8-12-43-10-3-4-11-43)52-33-20-26-25-5-1-2-6-31(25)51-32(26)21-30(33)46(35)23-28(37(27)48)39(49)41-9-14-44-15-17-50-18-16-44;1-36(2,3)49-35(46)40-23-9-12-42(19-23)34(45)24-20-43-25-17-21-7-4-5-8-22(21)18-26(25)48-33-30(28(37)29(38)27(31(33)43)32(24)44)39-10-6-11-41-13-15-47-16-14-41;35-28-29(36)27-31-33(30(28)37-7-3-9-39-11-15-44-16-12-39)46-26-20-23-6-2-1-5-22(23)19-25(26)41(31)21-24(32(27)42)34(43)38-8-4-10-40-13-17-45-18-14-40;1-36(2)18-34-10-5-6-11-35-31(40)23-17-38-25-13-19-7-3-4-8-20(19)14-26(25)41-30-27(38)22(29(23)39)15-24(32)28(30)37-12-9-21(33)16-37/h1-2,5-6,19-21,23-24H,3-4,7-18,22H2,(H,41,49)(H,42,47);4-5,7-8,17-18,20,23,39H,6,9-16,19,38H2,1-3H3,(H,40,46);1-2,5-6,19-21,37H,3-4,7-18,36H2,(H,38,43);3-4,7-8,13-15,17-18,21H,5-6,9-12,16,33H2,1-2H3,(H,35,40)/b;;;34-18+/t24-;;;21-/m1..1/s1
• InChIKey: RFXRWNAAXTUMBL-RIGWEXBBSA-N
• XLogP: 16.81
• TPSA: 490.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2568.91
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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?

The IUPAC name of 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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 (CID 160614592) is 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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.

What is the SMILES notation for 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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?

The canonical SMILES for 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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 is CC(C)(C)OC(=O)NC1CCN(C(=O)c2cn3c4c(c(NCCCN5CCOCC5)c(F)c(N)c4c2=O)Oc2cc4ccccc4cc2-3)C1.CN(C)/C=N/CCCCNC(=O)c1cn2c3c(c(N4CC[C@@H](N)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.Nc1c(F)c(NCCCN2CCOCC2)c2c3c1c(=O)c(C(=O)NCCCN1CCOCC1)cn3-c1cc3ccccc3cc1O2.O=C(CCN1CCCC1)N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)NCCN4CCOCC4)cn4c3c2Oc2cc3c(cc2-4)oc2ccccc23)C1.

What is the InChIKey of 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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?

The InChIKey is RFXRWNAAXTUMBL-RIGWEXBBSA-N. The full InChI is InChI=1S/C39H41FN6O6.C36H41FN6O6.C34H39FN6O5.C31H33FN6O3/c40-29-19-27-35-38(36(29)45-13-7-24(22-45)42-34(47)8-12-43-10-3-4-11-43)52-33-20-26-25-5-1-2-6-31(25)51-32(26)21-30(33)46(35)23-28(37(27)48)39(49)41-9-14-44-15-17-50-18-16-44;1-36(2,3)49-35(46)40-23-9-12-42(19-23)34(45)24-20-43-25-17-21-7-4-5-8-22(21)18-26(25)48-33-30(28(37)29(38)27(31(33)43)32(24)44)39-10-6-11-41-13-15-47-16-14-41;35-28-29(36)27-31-33(30(28)37-7-3-9-39-11-15-44-16-12-39)46-26-20-23-6-2-1-5-22(23)19-25(26)41(31)21-24(32(27)42)34(43)38-8-4-10-40-13-17-45-18-14-40;1-36(2)18-34-10-5-6-11-35-31(40)23-17-38-25-13-19-7-3-4-8-20(19)14-26(25)41-30-27(38)22(29(23)39)15-24(32)28(30)37-12-9-21(33)16-37/h1-2,5-6,19-21,23-24H,3-4,7-18,22H2,(H,41,49)(H,42,47);4-5,7-8,17-18,20,23,39H,6,9-16,19,38H2,1-3H3,(H,40,46);1-2,5-6,19-21,37H,3-4,7-18,36H2,(H,38,43);3-4,7-8,13-15,17-18,21H,5-6,9-12,16,33H2,1-2H3,(H,35,40)/b;;;34-18+/t24-;;;21-/m1..1/s1.

What are the key properties of 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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?

16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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 has a molecular weight of 2568.91 g/mol, XLogP of 16.81, 34 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 16-amino-15-fluoro-N-(3-morpholin-4-ylpropyl)-14-(3-morpholin-4-ylpropylamino)-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;14-[(3R)-3-aminopyrrolidin-1-yl]-N-[4-(dimethylaminomethylideneamino)butyl]-15-fluoro-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-[1-[16-amino-15-fluoro-14-(3-morpholin-4-ylpropylamino)-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-carbonyl]pyrrolidin-3-yl]carbamate;18-fluoro-N-(2-morpholin-4-ylethyl)-21-oxo-17-[(3R)-3-(3-pyrrolidin-1-ylpropanoylamino)pyrrolidin-1-yl]-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 is sourced from PubChem (CID 160614592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).