(6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one

C115H125F5N36O11 — CID 163691128

IUPAC(6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
SMILESCN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2c(nn(C)c2C#N)C1=O.CN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2cn(C)nc2C1=O.COc1c2c(nn1C)C(=O)N(C)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N.Cc1c2c(nn1C)C(=O)N(C)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N.Cn1cc2c(n1)C(=O)N(C1CC1)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N
InChIInChI=1S/C24H26FN7O2.C23H23FN8O2.C23H26FN7O3.C23H26FN7O2.C22H24FN7O2/c1-30-13-17-18-12-27-22(26)23(28-18)32-8-2-3-19(32)16-11-14(25)4-7-20(16)34-10-9-31(15-5-6-15)24(33)21(17)29-30;1-30-8-9-34-18-6-5-13(24)10-14(18)16-4-3-7-32(16)22-21(26)27-12-15(28-22)19-17(11-25)31(2)29-20(19)23(30)33;1-29-9-10-34-17-7-6-13(24)11-14(17)16-5-4-8-31(16)21-20(25)26-12-15(27-21)18-19(22(29)32)28-30(2)23(18)33-3;1-13-19-16-12-26-21(25)22(27-16)31-8-4-5-17(31)15-11-14(24)6-7-18(15)33-10-9-29(2)23(32)20(19)28-30(13)3;1-28-8-9-32-18-6-5-13(23)10-14(18)17-4-3-7-30(17)21-20(24)25-11-16(26-21)15-12-29(2)27-19(15)22(28)31/h4,7,11-13,15,19H,2-3,5-6,8-10H2,1H3,(H2,26,27);5-6,10,12,16H,3-4,7-9H2,1-2H3,(H2,26,27);6-7,11-12,16H,4-5,8-10H2,1-3H3,(H2,25,26);6-7,11-12,17H,4-5,8-10H2,1-3H3,(H2,25,26);5-6,10-12,17H,3-4,7-9H2,1-2H3,(H2,24,25)/t19-;2*16-;2*17-/m11111/s1
InChIKeyJTAOYIJFGBPJQM-YPOBDZGNSA-N
MW2282.50 g/mol
LogP12.74
Rot. Bonds2

About (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one

(6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one (PubChem CID 163691128) has the molecular formula C115H125F5N36O11 and a molecular weight of 2282.50 g/mol. Its IUPAC name is (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one.

Molecular Properties

Compound Name(6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
PubChem CID163691128
Molecular FormulaC115H125F5N36O11
Molecular Weight2282.50 g/mol
Exact Mass2281.02
IUPAC Name(6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one
SMILESCN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2c(nn(C)c2C#N)C1=O.CN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2cn(C)nc2C1=O.COc1c2c(nn1C)C(=O)N(C)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N.Cc1c2c(nn1C)C(=O)N(C)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N.Cn1cc2c(n1)C(=O)N(C1CC1)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N
InChIInChI=1S/C24H26FN7O2.C23H23FN8O2.C23H26FN7O3.C23H26FN7O2.C22H24FN7O2/c1-30-13-17-18-12-27-22(26)23(28-18)32-8-2-3-19(32)16-11-14(25)4-7-20(16)34-10-9-31(15-5-6-15)24(33)21(17)29-30;1-30-8-9-34-18-6-5-13(24)10-14(18)16-4-3-7-32(16)22-21(26)27-12-15(28-22)19-17(11-25)31(2)29-20(19)23(30)33;1-29-9-10-34-17-7-6-13(24)11-14(17)16-5-4-8-31(16)21-20(25)26-12-15(27-21)18-19(22(29)32)28-30(2)23(18)33-3;1-13-19-16-12-26-21(25)22(27-16)31-8-4-5-17(31)15-11-14(24)6-7-18(15)33-10-9-29(2)23(32)20(19)28-30(13)3;1-28-8-9-32-18-6-5-13(23)10-14(18)17-4-3-7-30(17)21-20(24)25-11-16(26-21)15-12-29(2)27-19(15)22(28)31/h4,7,11-13,15,19H,2-3,5-6,8-10H2,1H3,(H2,26,27);5-6,10,12,16H,3-4,7-9H2,1-2H3,(H2,26,27);6-7,11-12,16H,4-5,8-10H2,1-3H3,(H2,25,26);6-7,11-12,17H,4-5,8-10H2,1-3H3,(H2,25,26);5-6,10-12,17H,3-4,7-9H2,1-2H3,(H2,24,25)/t19-;2*16-;2*17-/m11111/s1
InChIKeyJTAOYIJFGBPJQM-YPOBDZGNSA-N
XLogP12.74
TPSA545.02 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds2
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.50
LogP ≤ 512.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Analyze (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one?
The IUPAC name of (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one (CID 163691128) is (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one.
What is the SMILES notation for (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one?
The canonical SMILES for (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one is CN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2c(nn(C)c2C#N)C1=O.CN1CCOc2ccc(F)cc2[C@H]2CCCN2c2nc(cnc2N)-c2cn(C)nc2C1=O.COc1c2c(nn1C)C(=O)N(C)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N.Cc1c2c(nn1C)C(=O)N(C)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N.Cn1cc2c(n1)C(=O)N(C1CC1)CCOc1ccc(F)cc1[C@H]1CCCN1c1nc-2cnc1N.
What is the InChIKey of (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one?
The InChIKey is JTAOYIJFGBPJQM-YPOBDZGNSA-N. The full InChI is InChI=1S/C24H26FN7O2.C23H23FN8O2.C23H26FN7O3.C23H26FN7O2.C22H24FN7O2/c1-30-13-17-18-12-27-22(26)23(28-18)32-8-2-3-19(32)16-11-14(25)4-7-20(16)34-10-9-31(15-5-6-15)24(33)21(17)29-30;1-30-8-9-34-18-6-5-13(24)10-14(18)16-4-3-7-32(16)22-21(26)27-12-15(28-22)19-17(11-25)31(2)29-20(19)23(30)33;1-29-9-10-34-17-7-6-13(24)11-14(17)16-5-4-8-31(16)21-20(25)26-12-15(27-21)18-19(22(29)32)28-30(2)23(18)33-3;1-13-19-16-12-26-21(25)22(27-16)31-8-4-5-17(31)15-11-14(24)6-7-18(15)33-10-9-29(2)23(32)20(19)28-30(13)3;1-28-8-9-32-18-6-5-13(23)10-14(18)17-4-3-7-30(17)21-20(24)25-11-16(26-21)15-12-29(2)27-19(15)22(28)31/h4,7,11-13,15,19H,2-3,5-6,8-10H2,1H3,(H2,26,27);5-6,10,12,16H,3-4,7-9H2,1-2H3,(H2,26,27);6-7,11-12,16H,4-5,8-10H2,1-3H3,(H2,25,26);6-7,11-12,17H,4-5,8-10H2,1-3H3,(H2,25,26);5-6,10-12,17H,3-4,7-9H2,1-2H3,(H2,24,25)/t19-;2*16-;2*17-/m11111/s1.
What are the key properties of (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one?
(6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one has a molecular weight of 2282.50 g/mol, XLogP of 12.74, 2 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-26-amino-16-cyclopropyl-9-fluoro-20-methyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20-dimethyl-17-oxo-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaene-21-carbonitrile;(6R)-26-amino-9-fluoro-21-methoxy-16,20-dimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one;(6R)-26-amino-9-fluoro-16,20,21-trimethyl-13-oxa-2,16,19,20,25,27-hexazapentacyclo[21.3.1.02,6.07,12.018,22]heptacosa-1(27),7(12),8,10,18,21,23,25-octaen-17-one is sourced from PubChem (CID 163691128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).