9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one

C117H124F2N36O12 — CID 158369437

IUPAC9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one
SMILESCc1nn2ccc3nc2c1C(=O)NCCCOc1cccc(n1)C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCCOc1ncccc1[C@H]1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1cccc(n1)C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1ncccc1[C@H]1CCCN31
InChIInChI=1S/C20H21FN6O2.2C20H22N6O2.C19H19FN6O2.2C19H20N6O2/c1-12-17-18-24-16(5-8-27(18)25-12)26-7-2-4-15(26)14-10-13(21)11-23-20(14)29-9-3-6-22-19(17)28;1-13-17-18-23-16(7-11-26(18)24-13)25-10-3-6-15(25)14-5-2-8-22-20(14)28-12-4-9-21-19(17)27;1-13-18-19-23-16(8-11-26(19)24-13)25-10-3-6-15(25)14-5-2-7-17(22-14)28-12-4-9-21-20(18)27;1-11-16-17-23-15(4-7-26(17)24-11)25-6-2-3-14(25)13-9-12(20)10-22-19(13)28-8-5-21-18(16)27;1-12-16-17-22-15(6-10-25(17)23-12)24-9-3-5-14(24)13-4-2-7-21-19(13)27-11-8-20-18(16)26;1-12-17-18-22-15(7-10-25(18)23-12)24-9-3-5-14(24)13-4-2-6-16(21-13)27-11-8-20-19(17)26/h5,8,10-11,15H,2-4,6-7,9H2,1H3,(H,22,28);2*2,5,7-8,11,15H,3-4,6,9-10,12H2,1H3,(H,21,27);4,7,9-10,14H,2-3,5-6,8H2,1H3,(H,21,27);2*2,4,6-7,10,14H,3,5,8-9,11H2,1H3,(H,20,26)/t;15-;;;14-;/m.1..1./s1
InChIKeyGUKYCSRCUDCOBL-CBHOPECFSA-N
MW2264.51 g/mol
LogP12.83
Rot. Bonds

About 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one

9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one (PubChem CID 158369437) has the molecular formula C117H124F2N36O12 and a molecular weight of 2264.51 g/mol. Its IUPAC name is 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one.

Molecular Properties

Compound Name9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one
PubChem CID158369437
Molecular FormulaC117H124F2N36O12
Molecular Weight2264.51 g/mol
Exact Mass2263.02
IUPAC Name9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one
SMILESCc1nn2ccc3nc2c1C(=O)NCCCOc1cccc(n1)C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCCOc1ncccc1[C@H]1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1cccc(n1)C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1ncccc1[C@H]1CCCN31
InChIInChI=1S/C20H21FN6O2.2C20H22N6O2.C19H19FN6O2.2C19H20N6O2/c1-12-17-18-24-16(5-8-27(18)25-12)26-7-2-4-15(26)14-10-13(21)11-23-20(14)29-9-3-6-22-19(17)28;1-13-17-18-23-16(7-11-26(18)24-13)25-10-3-6-15(25)14-5-2-8-22-20(14)28-12-4-9-21-19(17)27;1-13-18-19-23-16(8-11-26(19)24-13)25-10-3-6-15(25)14-5-2-7-17(22-14)28-12-4-9-21-20(18)27;1-11-16-17-23-15(4-7-26(17)24-11)25-6-2-3-14(25)13-9-12(20)10-22-19(13)28-8-5-21-18(16)27;1-12-16-17-22-15(6-10-25(17)23-12)24-9-3-5-14(24)13-4-2-7-21-19(13)27-11-8-20-18(16)26;1-12-17-18-22-15(7-10-25(18)23-12)24-9-3-5-14(24)13-4-2-6-16(21-13)27-11-8-20-19(17)26/h5,8,10-11,15H,2-4,6-7,9H2,1H3,(H,22,28);2*2,5,7-8,11,15H,3-4,6,9-10,12H2,1H3,(H,21,27);4,7,9-10,14H,2-3,5-6,8H2,1H3,(H,21,27);2*2,4,6-7,10,14H,3,5,8-9,11H2,1H3,(H,20,26)/t;15-;;;14-;/m.1..1./s1
InChIKeyGUKYCSRCUDCOBL-CBHOPECFSA-N
XLogP12.83
TPSA507.90 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002264.51
LogP ≤ 512.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Analyze 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one?
The IUPAC name of 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one (CID 158369437) is 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one.
What is the SMILES notation for 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one?
The canonical SMILES for 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one is Cc1nn2ccc3nc2c1C(=O)NCCCOc1cccc(n1)C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCCOc1ncc(F)cc1C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCCOc1ncccc1[C@H]1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1cccc(n1)C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1ncc(F)cc1C1CCCN31.Cc1nn2ccc3nc2c1C(=O)NCCOc1ncccc1[C@H]1CCCN31.
What is the InChIKey of 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one?
The InChIKey is GUKYCSRCUDCOBL-CBHOPECFSA-N. The full InChI is InChI=1S/C20H21FN6O2.2C20H22N6O2.C19H19FN6O2.2C19H20N6O2/c1-12-17-18-24-16(5-8-27(18)25-12)26-7-2-4-15(26)14-10-13(21)11-23-20(14)29-9-3-6-22-19(17)28;1-13-17-18-23-16(7-11-26(18)24-13)25-10-3-6-15(25)14-5-2-8-22-20(14)28-12-4-9-21-19(17)27;1-13-18-19-23-16(8-11-26(19)24-13)25-10-3-6-15(25)14-5-2-7-17(22-14)28-12-4-9-21-20(18)27;1-11-16-17-23-15(4-7-26(17)24-11)25-6-2-3-14(25)13-9-12(20)10-22-19(13)28-8-5-21-18(16)27;1-12-16-17-22-15(6-10-25(17)23-12)24-9-3-5-14(24)13-4-2-7-21-19(13)27-11-8-20-18(16)26;1-12-17-18-22-15(7-10-25(18)23-12)24-9-3-5-14(24)13-4-2-6-16(21-13)27-11-8-20-19(17)26/h5,8,10-11,15H,2-4,6-7,9H2,1H3,(H,22,28);2*2,5,7-8,11,15H,3-4,6,9-10,12H2,1H3,(H,21,27);4,7,9-10,14H,2-3,5-6,8H2,1H3,(H,21,27);2*2,4,6-7,10,14H,3,5,8-9,11H2,1H3,(H,20,26)/t;15-;;;14-;/m.1..1./s1.
What are the key properties of 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one?
9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one has a molecular weight of 2264.51 g/mol, XLogP of 12.83, 0 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;9-fluoro-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-20-methyl-13-oxa-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one;19-methyl-12-oxa-2,16,20,21,24,26-hexazapentacyclo[16.5.2.17,11.02,6.021,25]hexacosa-1(24),7(26),8,10,18(25),19,22-heptaen-17-one;(6R)-19-methyl-13-oxa-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;18-methyl-12-oxa-2,15,19,20,23,25-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7(25),8,10,17(24),18,21-heptaen-16-one is sourced from PubChem (CID 158369437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).