(1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine

C109H109F5N40O6 — CID 158128907

About (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine

(1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine (PubChem CID 158128907) has the molecular formula C109H109F5N40O6 and a molecular weight of 2170.33 g/mol. Its IUPAC name is (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine.

Molecular Properties

• Compound Name: (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine
• PubChem CID: 158128907
• Molecular Formula: C109H109F5N40O6
• Molecular Weight: 2170.33 g/mol
• Exact Mass: 2168.94
• IUPAC Name: (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine
• SMILES: CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc(C)nc4)nc(c13)N1CC3(CCC3N)C1C2.CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc(C)nc4)nc(c13)N1CC[C@@H](N)[C@@H]1C2.CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc(C)nc4)nc(c13)N1C[C@@H](N)[C@@H]1C2.CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc(C)nc4)nc(c13)N1C[C@H](N)C[C@H]1C2.CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc([C@@H](C)O)nc4)nc(c13)N1[C@@H]3C[C@@H]([C@H](N)C3)[C@@H]1C2
• InChI: InChI=1S/C24H25FN8O2.C23H23FN8O.2C21H21FN8O.C20H19FN8O/c1-9(34)21-28-7-11(8-29-21)35-24-31-22-19-18-12(14(25)6-16(27-2)20(18)30-22)5-17-13-3-10(4-15(13)26)33(17)23(19)32-24;1-10-27-7-11(8-28-10)33-22-30-20-18-17-12(13(24)6-14(26-2)19(17)29-20)5-16-23(4-3-15(23)25)9-32(16)21(18)31-22;1-9-25-6-12(7-26-9)31-21-28-19-17-16-13(14(22)5-15(24-2)18(16)27-19)4-11-3-10(23)8-30(11)20(17)29-21;1-9-25-7-10(8-26-9)31-21-28-19-17-16-11(12(22)6-14(24-2)18(16)27-19)5-15-13(23)3-4-30(15)20(17)29-21;1-8-24-5-9(6-25-8)30-20-27-18-16-15-10(11(21)4-13(23-2)17(15)26-18)3-14-12(22)7-29(14)19(16)28-20/h6-10,13,15,17,27,34H,3-5,26H2,1-2H3,(H,30,31,32);6-8,15-16,26H,3-5,9,25H2,1-2H3,(H,29,30,31);5-7,10-11,24H,3-4,8,23H2,1-2H3,(H,27,28,29);6-8,13,15,24H,3-5,23H2,1-2H3,(H,27,28,29);4-6,12,14,23H,3,7,22H2,1-2H3,(H,26,27,28)/t9-,10-,13+,15-,17+;;10-,11+;13-,15+;12-,14+/m1.111/s1
• InChIKey: FSNHJFGRBSGXSO-LPCUBQITSA-N
• XLogP: 13.36
• TPSA: 609.58 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 41
• Rotatable Bonds: 16
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2170.33
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine?

The IUPAC name of (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine (CID 158128907) is (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine.

What is the SMILES notation for (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine?

The canonical SMILES for (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine is CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc(C)nc4)nc(c13)N1CC3(CCC3N)C1C2.CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc(C)nc4)nc(c13)N1CC[C@@H](N)[C@@H]1C2.CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc(C)nc4)nc(c13)N1C[C@@H](N)[C@@H]1C2.CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc(C)nc4)nc(c13)N1C[C@H](N)C[C@H]1C2.CNc1cc(F)c2c3c1[nH]c1nc(Oc4cnc([C@@H](C)O)nc4)nc(c13)N1[C@@H]3C[C@@H]([C@H](N)C3)[C@@H]1C2.

What is the InChIKey of (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine?

The InChIKey is FSNHJFGRBSGXSO-LPCUBQITSA-N. The full InChI is InChI=1S/C24H25FN8O2.C23H23FN8O.2C21H21FN8O.C20H19FN8O/c1-9(34)21-28-7-11(8-29-21)35-24-31-22-19-18-12(14(25)6-16(27-2)20(18)30-22)5-17-13-3-10(4-15(13)26)33(17)23(19)32-24;1-10-27-7-11(8-28-10)33-22-30-20-18-17-12(13(24)6-14(26-2)19(17)29-20)5-16-23(4-3-15(23)25)9-32(16)21(18)31-22;1-9-25-6-12(7-26-9)31-21-28-19-17-16-13(14(22)5-15(24-2)18(16)27-19)4-11-3-10(23)8-30(11)20(17)29-21;1-9-25-7-10(8-26-9)31-21-28-19-17-16-11(12(22)6-14(24-2)18(16)27-19)5-15-13(23)3-4-30(15)20(17)29-21;1-8-24-5-9(6-25-8)30-20-27-18-16-15-10(11(21)4-13(23-2)17(15)26-18)3-14-12(22)7-29(14)19(16)28-20/h6-10,13,15,17,27,34H,3-5,26H2,1-2H3,(H,30,31,32);6-8,15-16,26H,3-5,9,25H2,1-2H3,(H,29,30,31);5-7,10-11,24H,3-4,8,23H2,1-2H3,(H,27,28,29);6-8,13,15,24H,3-5,23H2,1-2H3,(H,27,28,29);4-6,12,14,23H,3,7,22H2,1-2H3,(H,26,27,28)/t9-,10-,13+,15-,17+;;10-,11+;13-,15+;12-,14+/m1.111/s1.

What are the key properties of (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine?

(1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine has a molecular weight of 2170.33 g/mol, XLogP of 13.36, 16 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[5-[[(1R,16S,17S,18R)-18-amino-13-fluoro-11-(methylamino)-2,4,6,21-tetrazahexacyclo[15.2.1.17,10.02,16.03,8.09,14]henicosa-3,5,7,9,11,13-hexaen-5-yl]oxy]pyrimidin-2-yl]ethanol;12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxyspiro[2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,2'-cyclobutane]-1',14-diamine;(8R,10R)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-8,15-diamine;(9R,10S)-13-fluoro-15-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,19-tetrazapentacyclo[14.2.1.05,18.06,10.012,17]nonadeca-1(18),2,4,12,14,16-hexaene-9,15-diamine;(8R,9S)-12-fluoro-14-N-methyl-3-(2-methylpyrimidin-5-yl)oxy-2,4,6,18-tetrazapentacyclo[13.2.1.05,17.06,9.011,16]octadeca-1(17),2,4,11,13,15-hexaene-8,14-diamine is sourced from PubChem (CID 158128907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).