(12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene

C109H111F5N26O4 — CID 159759063

IUPAC(12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene
SMILESC=C1N[C@H](C)CCc2ccc(F)cc2C23CC2CCN3c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ccc(F)cc2C2(CC2)N(C)c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ccc(F)cc2C23CC2CCN3c2ccc3ncc1n3n2.C=C1N[C@H](C)COc2ccc(F)cc2[C@@]23C[C@@H]2CCN3c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ncc(F)cc2C23CC2CCN3c2ccc3ncc1n3n2
InChIInChI=1S/C23H24FN5.2C22H22FN5O.C21H21FN6O.C21H22FN5O/c1-14-3-4-16-5-6-18(24)11-20(16)23-12-17(23)7-9-28(23)21-8-10-29-22(27-21)19(13-25-29)15(2)26-14;1-13-12-29-19-4-3-16(23)9-18(19)22-10-15(22)5-7-27(22)20-6-8-28-21(26-20)17(11-24-28)14(2)25-13;1-13-12-29-19-4-3-16(23)9-17(19)22-10-15(22)7-8-27(22)21-6-5-20-24-11-18(14(2)25-13)28(20)26-21;1-12-11-29-20-16(7-15(22)9-24-20)21-8-14(21)5-6-27(21)19-4-3-18-23-10-17(13(2)25-12)28(18)26-19;1-13-12-28-18-5-4-15(22)10-17(18)21(7-8-21)26(3)19-6-9-27-20(25-19)16(11-23-27)14(2)24-13/h5-6,8,10-11,13-14,17,26H,2-4,7,9,12H2,1H3;3-4,6,8-9,11,13,15,25H,2,5,7,10,12H2,1H3;3-6,9,11,13,15,25H,2,7-8,10,12H2,1H3;3-4,7,9-10,12,14,25H,2,5-6,8,11H2,1H3;4-6,9-11,13,24H,2,7-8,12H2,1,3H3/t14-,17?,23?;13-,15+,22-;13-,15?,22?;12-,14?,21?;13-/m11111/s1
InChIKeyNEQIQQZJMCVOCU-LHNJYYSUSA-N
MW1944.25 g/mol
LogP16.62
Rot. Bonds

About (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene

(12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene (PubChem CID 159759063) has the molecular formula C109H111F5N26O4 and a molecular weight of 1944.25 g/mol. Its IUPAC name is (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene.

Molecular Properties

Compound Name(12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene
PubChem CID159759063
Molecular FormulaC109H111F5N26O4
Molecular Weight1944.25 g/mol
Exact Mass1942.92
IUPAC Name(12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene
SMILESC=C1N[C@H](C)CCc2ccc(F)cc2C23CC2CCN3c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ccc(F)cc2C2(CC2)N(C)c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ccc(F)cc2C23CC2CCN3c2ccc3ncc1n3n2.C=C1N[C@H](C)COc2ccc(F)cc2[C@@]23C[C@@H]2CCN3c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ncc(F)cc2C23CC2CCN3c2ccc3ncc1n3n2
InChIInChI=1S/C23H24FN5.2C22H22FN5O.C21H21FN6O.C21H22FN5O/c1-14-3-4-16-5-6-18(24)11-20(16)23-12-17(23)7-9-28(23)21-8-10-29-22(27-21)19(13-25-29)15(2)26-14;1-13-12-29-19-4-3-16(23)9-18(19)22-10-15(22)5-7-27(22)20-6-8-28-21(26-20)17(11-24-28)14(2)25-13;1-13-12-29-19-4-3-16(23)9-17(19)22-10-15(22)7-8-27(22)21-6-5-20-24-11-18(14(2)25-13)28(20)26-21;1-12-11-29-20-16(7-15(22)9-24-20)21-8-14(21)5-6-27(21)19-4-3-18-23-10-17(13(2)25-12)28(18)26-19;1-13-12-28-18-5-4-15(22)10-17(18)21(7-8-21)26(3)19-6-9-27-20(25-19)16(11-23-27)14(2)24-13/h5-6,8,10-11,13-14,17,26H,2-4,7,9,12H2,1H3;3-4,6,8-9,11,13,15,25H,2,5,7,10,12H2,1H3;3-6,9,11,13,15,25H,2,7-8,10,12H2,1H3;3-4,7,9-10,12,14,25H,2,5-6,8,11H2,1H3;4-6,9-11,13,24H,2,7-8,12H2,1,3H3/t14-,17?,23?;13-,15+,22-;13-,15?,22?;12-,14?,21?;13-/m11111/s1
InChIKeyNEQIQQZJMCVOCU-LHNJYYSUSA-N
XLogP16.62
TPSA277.11 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.25
LogP ≤ 516.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene?
The IUPAC name of (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene (CID 159759063) is (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene.
What is the SMILES notation for (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene?
The canonical SMILES for (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene is C=C1N[C@H](C)CCc2ccc(F)cc2C23CC2CCN3c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ccc(F)cc2C2(CC2)N(C)c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ccc(F)cc2C23CC2CCN3c2ccc3ncc1n3n2.C=C1N[C@H](C)COc2ccc(F)cc2[C@@]23C[C@@H]2CCN3c2ccn3ncc1c3n2.C=C1N[C@H](C)COc2ncc(F)cc2C23CC2CCN3c2ccc3ncc1n3n2.
What is the InChIKey of (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene?
The InChIKey is NEQIQQZJMCVOCU-LHNJYYSUSA-N. The full InChI is InChI=1S/C23H24FN5.2C22H22FN5O.C21H21FN6O.C21H22FN5O/c1-14-3-4-16-5-6-18(24)11-20(16)23-12-17(23)7-9-28(23)21-8-10-29-22(27-21)19(13-25-29)15(2)26-14;1-13-12-29-19-4-3-16(23)9-18(19)22-10-15(22)5-7-27(22)20-6-8-28-21(26-20)17(11-24-28)14(2)25-13;1-13-12-29-19-4-3-16(23)9-17(19)22-10-15(22)7-8-27(22)21-6-5-20-24-11-18(14(2)25-13)28(20)26-21;1-12-11-29-20-16(7-15(22)9-24-20)21-8-14(21)5-6-27(21)19-4-3-18-23-10-17(13(2)25-12)28(18)26-19;1-13-12-28-18-5-4-15(22)10-17(18)21(7-8-21)26(3)19-6-9-27-20(25-19)16(11-23-27)14(2)24-13/h5-6,8,10-11,13-14,17,26H,2-4,7,9,12H2,1H3;3-4,6,8-9,11,13,15,25H,2,5,7,10,12H2,1H3;3-6,9,11,13,15,25H,2,7-8,10,12H2,1H3;3-4,7,9-10,12,14,25H,2,5-6,8,11H2,1H3;4-6,9-11,13,24H,2,7-8,12H2,1,3H3/t14-,17?,23?;13-,15+,22-;13-,15?,22?;12-,14?,21?;13-/m11111/s1.
What are the key properties of (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene?
(12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene has a molecular weight of 1944.25 g/mol, XLogP of 16.62, 0 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-6-fluoro-2,12-dimethyl-14-methylidenespiro[10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-3,1'-cyclopropane];(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,12,17,21,25,26-hexazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(5S,7R,16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-14-oxa-2,17,21,25,26-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19,21,23-heptaene;(16R)-10-fluoro-16-methyl-18-methylidene-2,17,21,22,25-pentazahexacyclo[17.5.2.02,7.05,7.08,13.022,26]hexacosa-1(25),8(13),9,11,19(26),20,23-heptaene is sourced from PubChem (CID 159759063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).