About (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile
(6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile (PubChem CID 167608763) has the molecular formula C125H137F5N34O5
and a molecular weight of 2290.69 g/mol. Its IUPAC name is (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile?
The IUPAC name of (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile (CID 167608763) is (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile.
What is the SMILES notation for (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile?
The canonical SMILES for (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile is CC(C)N1N=C(C#N)C2c3cnc(N)c(c3)N3CCC[C@@H]3c3cc(F)ccc3C(=O)N(C)CC21.CC(C)n1cc2c(n1)CN(C1CC1)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.CC(C)n1nc2c(c1C#N)-c1cnc(N)c(c1)N1CCC[C@@H]1c1cc(F)ccc1C(=O)N(C)C2.CC(C)n1nc2c(c1C#N)-c1cnc(N)c(n1)N1CCC[C@@H]1c1cc(F)ccc1C(=O)N(C)C2.Cc1c2c(nn1C(C)C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.
What is the InChIKey of (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile?
The InChIKey is KSYDMEVKCOVAMH-RSQMGLPWSA-N. The full InChI is InChI=1S/C26H29FN6O.C25H26FN7O.C25H28FN7O.C25H29FN6O.C24H25FN8O/c1-15(2)33-13-21-16-10-24(25(28)29-12-16)31-9-3-4-23(31)20-11-17(27)5-8-19(20)26(34)32(18-6-7-18)14-22(21)30-33;1-14(2)33-22(11-27)23-15-9-21(24(28)29-12-15)32-8-4-5-20(32)18-10-16(26)6-7-17(18)25(34)31(3)13-19(23)30-33;1-14(2)33-22-13-31(3)25(34)17-7-6-16(26)10-18(17)20-5-4-8-32(20)21-9-15(12-29-24(21)28)23(22)19(11-27)30-33;1-14(2)32-15(3)23-16-10-22(24(27)28-12-16)31-9-5-6-21(31)19-11-17(26)7-8-18(19)25(33)30(4)13-20(23)29-32;1-13(2)33-20(10-26)21-17-11-28-22(27)23(29-17)32-8-4-5-19(32)16-9-14(25)6-7-15(16)24(34)31(3)12-18(21)30-33/h5,8,10-13,15,18,23H,3-4,6-7,9,14H2,1-2H3,(H2,28,29);6-7,9-10,12,14,20H,4-5,8,13H2,1-3H3,(H2,28,29);6-7,9-10,12,14,20,22-23H,4-5,8,13H2,1-3H3,(H2,28,29);7-8,10-12,14,21H,5-6,9,13H2,1-4H3,(H2,27,28);6-7,9,11,13,19H,4-5,8,12H2,1-3H3,(H2,27,28)/t23-;20-;20-,22?,23?;21-;19-/m11111/s1.
What are the key properties of (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile?
(6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile has a molecular weight of 2290.69 g/mol, XLogP of 19.96, 6 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-24-amino-14-cyclopropyl-9-fluoro-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14,19-dimethyl-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23,25-hexazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(25),7(12),8,10,16,19,21,23-octaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-17-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,18,21(25),22-heptaene-19-carbonitrile;(6R)-24-amino-9-fluoro-14-methyl-13-oxo-18-propan-2-yl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaene-19-carbonitrile is sourced from PubChem (CID 167608763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).