14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide

C146H147F4N19O17 — CID 159145152

IUPAC14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide
SMILESCN(C)CCCCNC(=O)c1cn2c3cc4c(cc3oc3c(NCCCCN(C)C)c(F)cc(c1=O)c32)c(=O)c1ccccc14.CN1CCCC1CCNC(=O)c1cn2c3cc4c(cc3oc3c(NCCN5CCCC5)c(F)cc(c1=O)c32)c(=O)c1ccccc14.COc1ccc(OC)c(CCNc2c(F)cc3c(=O)c(C(=O)NCCC4CCCN4C)cn4c3c2Oc2cc3ccccc3cc2-4)c1.COc1ccc2[nH]cc(CCNc3c(F)cc4c(=O)c(C(=O)NCCC5CCCN5C)cn5c4c3Oc3cc4ccccc4cc3-5)c2c1
InChIInChI=1S/C38H36FN5O4.C37H37FN4O5.C36H36FN5O4.C35H38FN5O4/c1-43-15-5-8-25(43)12-14-41-38(46)29-21-44-32-16-22-6-3-4-7-23(22)17-33(32)48-37-34(30(39)19-28(35(37)44)36(29)45)40-13-11-24-20-42-31-10-9-26(47-2)18-27(24)31;1-41-16-6-9-25(41)13-15-40-37(44)28-21-42-30-18-22-7-4-5-8-23(22)19-32(30)47-36-33(29(38)20-27(34(36)42)35(28)43)39-14-12-24-17-26(45-2)10-11-31(24)46-3;1-40-13-6-7-21(40)10-11-39-36(45)27-20-42-29-18-24-22-8-2-3-9-23(22)33(43)25(24)19-30(29)46-35-31(38-12-16-41-14-4-5-15-41)28(37)17-26(32(35)42)34(27)44;1-39(2)15-9-7-13-37-30-27(36)17-25-31-34(30)45-29-19-24-23(21-11-5-6-12-22(21)32(24)42)18-28(29)41(31)20-26(33(25)43)35(44)38-14-8-10-16-40(3)4/h3-4,6-7,9-10,16-21,25,40,42H,5,8,11-15H2,1-2H3,(H,41,46);4-5,7-8,10-11,17-21,25,39H,6,9,12-16H2,1-3H3,(H,40,44);2-3,8-9,17-21,38H,4-7,10-16H2,1H3,(H,39,45);5-6,11-12,17-20,37H,7-10,13-16H2,1-4H3,(H,38,44)
InChIKeyKIOYJIRNMXRXPR-UHFFFAOYSA-N
MW2515.89 g/mol
LogP23.45
Rot. Bonds39

About 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide

14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide (PubChem CID 159145152) has the molecular formula C146H147F4N19O17 and a molecular weight of 2515.89 g/mol. Its IUPAC name is 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide.

Molecular Properties

Compound Name14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide
PubChem CID159145152
Molecular FormulaC146H147F4N19O17
Molecular Weight2515.89 g/mol
Exact Mass2514.12
IUPAC Name14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide
SMILESCN(C)CCCCNC(=O)c1cn2c3cc4c(cc3oc3c(NCCCCN(C)C)c(F)cc(c1=O)c32)c(=O)c1ccccc14.CN1CCCC1CCNC(=O)c1cn2c3cc4c(cc3oc3c(NCCN5CCCC5)c(F)cc(c1=O)c32)c(=O)c1ccccc14.COc1ccc(OC)c(CCNc2c(F)cc3c(=O)c(C(=O)NCCC4CCCN4C)cn4c3c2Oc2cc3ccccc3cc2-4)c1.COc1ccc2[nH]cc(CCNc3c(F)cc4c(=O)c(C(=O)NCCC5CCCN5C)cn5c4c3Oc3cc4ccccc4cc3-5)c2c1
InChIInChI=1S/C38H36FN5O4.C37H37FN4O5.C36H36FN5O4.C35H38FN5O4/c1-43-15-5-8-25(43)12-14-41-38(46)29-21-44-32-16-22-6-3-4-7-23(22)17-33(32)48-37-34(30(39)19-28(35(37)44)36(29)45)40-13-11-24-20-42-31-10-9-26(47-2)18-27(24)31;1-41-16-6-9-25(41)13-15-40-37(44)28-21-42-30-18-22-7-4-5-8-23(22)19-32(30)47-36-33(29(38)20-27(34(36)42)35(28)43)39-14-12-24-17-26(45-2)10-11-31(24)46-3;1-40-13-6-7-21(40)10-11-39-36(45)27-20-42-29-18-24-22-8-2-3-9-23(22)33(43)25(24)19-30(29)46-35-31(38-12-16-41-14-4-5-15-41)28(37)17-26(32(35)42)34(27)44;1-39(2)15-9-7-13-37-30-27(36)17-25-31-34(30)45-29-19-24-23(21-11-5-6-12-22(21)32(24)42)18-28(29)41(31)20-26(33(25)43)35(44)38-14-8-10-16-40(3)4/h3-4,6-7,9-10,16-21,25,40,42H,5,8,11-15H2,1-2H3,(H,41,46);4-5,7-8,10-11,17-21,25,39H,6,9,12-16H2,1-3H3,(H,40,44);2-3,8-9,17-21,38H,4-7,10-16H2,1H3,(H,39,45);5-6,11-12,17-20,37H,7-10,13-16H2,1-4H3,(H,38,44)
InChIKeyKIOYJIRNMXRXPR-UHFFFAOYSA-N
XLogP23.45
TPSA393.28 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds39
Heavy Atoms186
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002515.89
LogP ≤ 523.45
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

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'}

Analyze 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide?
The IUPAC name of 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide (CID 159145152) is 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide.
What is the SMILES notation for 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide?
The canonical SMILES for 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide is CN(C)CCCCNC(=O)c1cn2c3cc4c(cc3oc3c(NCCCCN(C)C)c(F)cc(c1=O)c32)c(=O)c1ccccc14.CN1CCCC1CCNC(=O)c1cn2c3cc4c(cc3oc3c(NCCN5CCCC5)c(F)cc(c1=O)c32)c(=O)c1ccccc14.COc1ccc(OC)c(CCNc2c(F)cc3c(=O)c(C(=O)NCCC4CCCN4C)cn4c3c2Oc2cc3ccccc3cc2-4)c1.COc1ccc2[nH]cc(CCNc3c(F)cc4c(=O)c(C(=O)NCCC5CCCN5C)cn5c4c3Oc3cc4ccccc4cc3-5)c2c1.
What is the InChIKey of 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide?
The InChIKey is KIOYJIRNMXRXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36FN5O4.C37H37FN4O5.C36H36FN5O4.C35H38FN5O4/c1-43-15-5-8-25(43)12-14-41-38(46)29-21-44-32-16-22-6-3-4-7-23(22)17-33(32)48-37-34(30(39)19-28(35(37)44)36(29)45)40-13-11-24-20-42-31-10-9-26(47-2)18-27(24)31;1-41-16-6-9-25(41)13-15-40-37(44)28-21-42-30-18-22-7-4-5-8-23(22)19-32(30)47-36-33(29(38)20-27(34(36)42)35(28)43)39-14-12-24-17-26(45-2)10-11-31(24)46-3;1-40-13-6-7-21(40)10-11-39-36(45)27-20-42-29-18-24-22-8-2-3-9-23(22)33(43)25(24)19-30(29)46-35-31(38-12-16-41-14-4-5-15-41)28(37)17-26(32(35)42)34(27)44;1-39(2)15-9-7-13-37-30-27(36)17-25-31-34(30)45-29-19-24-23(21-11-5-6-12-22(21)32(24)42)18-28(29)41(31)20-26(33(25)43)35(44)38-14-8-10-16-40(3)4/h3-4,6-7,9-10,16-21,25,40,42H,5,8,11-15H2,1-2H3,(H,41,46);4-5,7-8,10-11,17-21,25,39H,6,9,12-16H2,1-3H3,(H,40,44);2-3,8-9,17-21,38H,4-7,10-16H2,1H3,(H,39,45);5-6,11-12,17-20,37H,7-10,13-16H2,1-4H3,(H,38,44).
What are the key properties of 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide?
14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide has a molecular weight of 2515.89 g/mol, XLogP of 23.45, 39 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(2,5-dimethoxyphenyl)ethylamino]-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;N-[4-(dimethylamino)butyl]-17-[4-(dimethylamino)butylamino]-18-fluoro-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-14-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-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;18-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-11,21-dioxo-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-22-carboxamide is sourced from PubChem (CID 159145152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).