(6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile

C119H132F2N32O9 — CID 167578642

IUPAC(6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile
SMILESCC(C)n1cc2c(n1)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.COc1c2c(nn1C(C)C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C(C)C)c1CN(C)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(C#N)nn(C(C)C)c1CN(C)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C(C)C)c1C#N)CN(C)C2=O
InChIInChI=1S/C25H29FN6O2.C24H27FN6O.C24H26N6O2.2C23H25N7O2/c1-14(2)32-25(34-4)22-15-10-21(23(27)28-12-15)31-9-5-6-20(31)18-11-16(26)7-8-17(18)24(33)30(3)13-19(22)29-32;1-14(2)31-12-19-15-9-22(23(26)27-11-15)30-8-4-5-21(30)18-10-16(25)6-7-17(18)24(32)29(3)13-20(19)28-31;1-13(2)30-20-12-29(5)24(31)17-7-6-14(3)8-18(17)15(4)32-21-9-16(11-27-23(21)26)22(20)19(10-25)28-30;1-12(2)30-19(9-24)20-17-10-26-21(25)22(27-17)32-14(4)16-8-13(3)6-7-15(16)23(31)29(5)11-18(20)28-30;1-12(2)30-19-11-29(5)23(31)15-7-6-13(3)8-16(15)14(4)32-22-21(25)26-10-18(27-22)20(19)17(9-24)28-30/h7-8,10-12,14,20H,5-6,9,13H2,1-4H3,(H2,27,28);6-7,9-12,14,21H,4-5,8,13H2,1-3H3,(H2,26,27);6-9,11,13,15H,12H2,1-5H3,(H2,26,27);2*6-8,10,12,14H,11H2,1-5H3,(H2,25,26)/t20-;21-;15-;2*14-/m11111/s1
InChIKeyGWGAPGMIIQGPLX-VLDKESFTSA-N
MW2192.58 g/mol
LogP19.19
Rot. Bonds6

About (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile

(6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile (PubChem CID 167578642) has the molecular formula C119H132F2N32O9 and a molecular weight of 2192.58 g/mol. Its IUPAC name is (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile.

Molecular Properties

Compound Name(6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile
PubChem CID167578642
Molecular FormulaC119H132F2N32O9
Molecular Weight2192.58 g/mol
Exact Mass2191.08
IUPAC Name(6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile
SMILESCC(C)n1cc2c(n1)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.COc1c2c(nn1C(C)C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C(C)C)c1CN(C)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(C#N)nn(C(C)C)c1CN(C)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C(C)C)c1C#N)CN(C)C2=O
InChIInChI=1S/C25H29FN6O2.C24H27FN6O.C24H26N6O2.2C23H25N7O2/c1-14(2)32-25(34-4)22-15-10-21(23(27)28-12-15)31-9-5-6-20(31)18-11-16(26)7-8-17(18)24(33)30(3)13-19(22)29-32;1-14(2)31-12-19-15-9-22(23(26)27-11-15)30-8-4-5-21(30)18-10-16(25)6-7-17(18)24(32)29(3)13-20(19)28-31;1-13(2)30-20-12-29(5)24(31)17-7-6-14(3)8-18(17)15(4)32-21-9-16(11-27-23(21)26)22(20)19(10-25)28-30;1-12(2)30-19(9-24)20-17-10-26-21(25)22(27-17)32-14(4)16-8-13(3)6-7-15(16)23(31)29(5)11-18(20)28-30;1-12(2)30-19-11-29(5)23(31)15-7-6-13(3)8-16(15)14(4)32-22-21(25)26-10-18(27-22)20(19)17(9-24)28-30/h7-8,10-12,14,20H,5-6,9,13H2,1-4H3,(H2,27,28);6-7,9-12,14,21H,4-5,8,13H2,1-3H3,(H2,26,27);6-9,11,13,15H,12H2,1-5H3,(H2,26,27);2*6-8,10,12,14H,11H2,1-5H3,(H2,25,26)/t20-;21-;15-;2*14-/m11111/s1
InChIKeyGWGAPGMIIQGPLX-VLDKESFTSA-N
XLogP19.19
TPSA525.75 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds6
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002192.58
LogP ≤ 519.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Analyze (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile with MolForge

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Related Compounds

CID 170770894
CID 170770894
CID 170770927
CID 170770927
CID 170770934
CID 170770934
CID 170770941
CID 170770941
CID 170770955
CID 170770955
CID 170771006
CID 170771006
CID 170771034
CID 170771034
CID 170771050
CID 170771050
CID 170771069
CID 170771069
CID 170771109
CID 170771109
CID 123155799
CID 123155799
CID 144651693
CID 144651693

Frequently Asked Questions

What is the IUPAC name of (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile?
The IUPAC name of (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile (CID 167578642) is (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile.
What is the SMILES notation for (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile?
The canonical SMILES for (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile is CC(C)n1cc2c(n1)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.COc1c2c(nn1C(C)C)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(C#N)nn(C(C)C)c1CN(C)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(C#N)nn(C(C)C)c1CN(C)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C(C)C)c1C#N)CN(C)C2=O.
What is the InChIKey of (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile?
The InChIKey is GWGAPGMIIQGPLX-VLDKESFTSA-N. The full InChI is InChI=1S/C25H29FN6O2.C24H27FN6O.C24H26N6O2.2C23H25N7O2/c1-14(2)32-25(34-4)22-15-10-21(23(27)28-12-15)31-9-5-6-20(31)18-11-16(26)7-8-17(18)24(33)30(3)13-19(22)29-32;1-14(2)31-12-19-15-9-22(23(26)27-11-15)30-8-4-5-21(30)18-10-16(25)6-7-17(18)24(32)29(3)13-20(19)28-31;1-13(2)30-20-12-29(5)24(31)17-7-6-14(3)8-18(17)15(4)32-21-9-16(11-27-23(21)26)22(20)19(10-25)28-30;1-12(2)30-19(9-24)20-17-10-26-21(25)22(27-17)32-14(4)16-8-13(3)6-7-15(16)23(31)29(5)11-18(20)28-30;1-12(2)30-19-11-29(5)23(31)15-7-6-13(3)8-16(15)14(4)32-22-21(25)26-10-18(27-22)20(19)17(9-24)28-30/h7-8,10-12,14,20H,5-6,9,13H2,1-4H3,(H2,27,28);6-7,9-12,14,21H,4-5,8,13H2,1-3H3,(H2,26,27);6-9,11,13,15H,12H2,1-5H3,(H2,26,27);2*6-8,10,12,14H,11H2,1-5H3,(H2,25,26)/t20-;21-;15-;2*14-/m11111/s1.
What are the key properties of (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile?
(6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile has a molecular weight of 2192.58 g/mol, XLogP of 19.19, 6 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-24-amino-9-fluoro-19-methoxy-14-methyl-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-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;(16R)-19-amino-8,13,16-trimethyl-9-oxo-4-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2(6),3,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-8,13,16-trimethyl-9-oxo-5-propan-2-yl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile is sourced from PubChem (CID 167578642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).