18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide

C138H138F3N23O19 — CID 158738295

IUPAC18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
SMILESCN1CCCC1CCNC(=O)c1cn2c3c(c(N4CCNC(c5cccnc5)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.NC1CCN(c2c(F)cc3c(=O)c(C(=O)NCCCN4CCOCC4)cn4c5cc6c(=O)c7ccccc7c(=O)c6cc5oc2c34)C1.O=C(NCCCN1CCOCC1)c1cn2c3cc4oc5cc([N+](=O)[O-])ccc5[nH]c4cc3oc3c(NCCN4CCCC4)c(F)cc(c1=O)c32.O=C(NCCN1CCCC1)c1cn2c3c(c(NCCN4CCCC4)ccc3c1=O)Oc1cc3ccccc3cc1-2
InChIInChI=1S/C36H35FN6O3.C35H36FN7O7.C35H32FN5O6.C32H35N5O3/c1-41-14-5-9-25(41)10-12-40-36(45)27-20-43-30-16-22-6-2-3-7-23(22)17-31(30)46-35-32(43)26(34(27)44)18-28(37)33(35)42-15-13-39-29(21-42)24-8-4-11-38-19-24;36-24-17-22-32-34(31(24)37-7-11-40-8-1-2-9-40)50-30-18-26-29(49-28-16-21(43(46)47)4-5-25(28)39-26)19-27(30)42(32)20-23(33(22)44)35(45)38-6-3-10-41-12-14-48-15-13-41;36-26-14-24-29-34(30(26)40-9-6-19(37)17-40)47-28-16-23-22(31(42)20-4-1-2-5-21(20)32(23)43)15-27(28)41(29)18-25(33(24)44)35(45)38-7-3-8-39-10-12-46-13-11-39;38-30-24-9-10-26(33-11-17-35-13-3-4-14-35)31-29(24)37(21-25(30)32(39)34-12-18-36-15-5-6-16-36)27-19-22-7-1-2-8-23(22)20-28(27)40-31/h2-4,6-8,11,16-20,25,29,39H,5,9-10,12-15,21H2,1H3,(H,40,45);4-5,16-20,37,39H,1-3,6-15H2,(H,38,45);1-2,4-5,14-16,18-19H,3,6-13,17,37H2,(H,38,45);1-2,7-10,19-21,33H,3-6,11-18H2,(H,34,39)
InChIKeyILYSJKZVSRDYTJ-UHFFFAOYSA-N
MW2479.76 g/mol
LogP17.52
Rot. Bonds30

About 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide

18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide (PubChem CID 158738295) has the molecular formula C138H138F3N23O19 and a molecular weight of 2479.76 g/mol. Its IUPAC name is 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide.

Molecular Properties

Compound Name18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
PubChem CID158738295
Molecular FormulaC138H138F3N23O19
Molecular Weight2479.76 g/mol
Exact Mass2478.05
IUPAC Name18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide
SMILESCN1CCCC1CCNC(=O)c1cn2c3c(c(N4CCNC(c5cccnc5)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.NC1CCN(c2c(F)cc3c(=O)c(C(=O)NCCCN4CCOCC4)cn4c5cc6c(=O)c7ccccc7c(=O)c6cc5oc2c34)C1.O=C(NCCCN1CCOCC1)c1cn2c3cc4oc5cc([N+](=O)[O-])ccc5[nH]c4cc3oc3c(NCCN4CCCC4)c(F)cc(c1=O)c32.O=C(NCCN1CCCC1)c1cn2c3c(c(NCCN4CCCC4)ccc3c1=O)Oc1cc3ccccc3cc1-2
InChIInChI=1S/C36H35FN6O3.C35H36FN7O7.C35H32FN5O6.C32H35N5O3/c1-41-14-5-9-25(41)10-12-40-36(45)27-20-43-30-16-22-6-2-3-7-23(22)17-31(30)46-35-32(43)26(34(27)44)18-28(37)33(35)42-15-13-39-29(21-42)24-8-4-11-38-19-24;36-24-17-22-32-34(31(24)37-7-11-40-8-1-2-9-40)50-30-18-26-29(49-28-16-21(43(46)47)4-5-25(28)39-26)19-27(30)42(32)20-23(33(22)44)35(45)38-6-3-10-41-12-14-48-15-13-41;36-26-14-24-29-34(30(26)40-9-6-19(37)17-40)47-28-16-23-22(31(42)20-4-1-2-5-21(20)32(23)43)15-27(28)41(29)18-25(33(24)44)35(45)38-7-3-8-39-10-12-46-13-11-39;38-30-24-9-10-26(33-11-17-35-13-3-4-14-35)31-29(24)37(21-25(30)32(39)34-12-18-36-15-5-6-16-36)27-19-22-7-1-2-8-23(22)20-28(27)40-31/h2-4,6-8,11,16-20,25,29,39H,5,9-10,12-15,21H2,1H3,(H,40,45);4-5,16-20,37,39H,1-3,6-15H2,(H,38,45);1-2,4-5,14-16,18-19H,3,6-13,17,37H2,(H,38,45);1-2,7-10,19-21,33H,3-6,11-18H2,(H,34,39)
InChIKeyILYSJKZVSRDYTJ-UHFFFAOYSA-N
XLogP17.52
TPSA473.69 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds30
Heavy Atoms183
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002479.76
LogP ≤ 517.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide?
The IUPAC name of 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide (CID 158738295) is 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide.
What is the SMILES notation for 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide?
The canonical SMILES for 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide is CN1CCCC1CCNC(=O)c1cn2c3c(c(N4CCNC(c5cccnc5)C4)c(F)cc3c1=O)Oc1cc3ccccc3cc1-2.NC1CCN(c2c(F)cc3c(=O)c(C(=O)NCCCN4CCOCC4)cn4c5cc6c(=O)c7ccccc7c(=O)c6cc5oc2c34)C1.O=C(NCCCN1CCOCC1)c1cn2c3cc4oc5cc([N+](=O)[O-])ccc5[nH]c4cc3oc3c(NCCN4CCCC4)c(F)cc(c1=O)c32.O=C(NCCN1CCCC1)c1cn2c3c(c(NCCN4CCCC4)ccc3c1=O)Oc1cc3ccccc3cc1-2.
What is the InChIKey of 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide?
The InChIKey is ILYSJKZVSRDYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35FN6O3.C35H36FN7O7.C35H32FN5O6.C32H35N5O3/c1-41-14-5-9-25(41)10-12-40-36(45)27-20-43-30-16-22-6-2-3-7-23(22)17-31(30)46-35-32(43)26(34(27)44)18-28(37)33(35)42-15-13-39-29(21-42)24-8-4-11-38-19-24;36-24-17-22-32-34(31(24)37-7-11-40-8-1-2-9-40)50-30-18-26-29(49-28-16-21(43(46)47)4-5-25(28)39-26)19-27(30)42(32)20-23(33(22)44)35(45)38-6-3-10-41-12-14-48-15-13-41;36-26-14-24-29-34(30(26)40-9-6-19(37)17-40)47-28-16-23-22(31(42)20-4-1-2-5-21(20)32(23)43)15-27(28)41(29)18-25(33(24)44)35(45)38-7-3-8-39-10-12-46-13-11-39;38-30-24-9-10-26(33-11-17-35-13-3-4-14-35)31-29(24)37(21-25(30)32(39)34-12-18-36-15-5-6-16-36)27-19-22-7-1-2-8-23(22)20-28(27)40-31/h2-4,6-8,11,16-20,25,29,39H,5,9-10,12-15,21H2,1H3,(H,40,45);4-5,16-20,37,39H,1-3,6-15H2,(H,38,45);1-2,4-5,14-16,18-19H,3,6-13,17,37H2,(H,38,45);1-2,7-10,19-21,33H,3-6,11-18H2,(H,34,39).
What are the key properties of 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide?
18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide has a molecular weight of 2479.76 g/mol, XLogP of 17.52, 30 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(3-aminopyrrolidin-1-yl)-19-fluoro-N-(3-morpholin-4-ylpropyl)-5,12,22-trioxo-16-oxa-1-azahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6,8,10,13,17(25),18,20,23-decaene-23-carboxamide;15-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-18-oxo-14-(3-pyridin-3-ylpiperazin-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;19-fluoro-N-(3-morpholin-4-ylpropyl)-8-nitro-22-oxo-18-(2-pyrrolidin-1-ylethylamino)-5,16-dioxa-1,12-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-2(15),3,6(11),7,9,13,17(25),18,20,23-decaene-23-carboxamide;18-oxo-N-(2-pyrrolidin-1-ylethyl)-14-(2-pyrrolidin-1-ylethylamino)-12-oxa-1-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2,4,6,8,10,13,15,17(21),19-nonaene-19-carboxamide is sourced from PubChem (CID 158738295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).