(3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane

C110H106Cl6F6N28O9 — CID 158496748

IUPAC(3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane
SMILESC.C=C1NC(C)COc2ccc(F)c(Cl)c2COc2ccn3ncc1c3n2.C=C1NCC(C)Oc2ccc(F)c(Cl)c2COc2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2C(C)N(C)c2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2C(C)Nc2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2[C@@H](C)N(C)c2ccn3ncc1c3n2.CN1Cc2c(ccc(F)c2Cl)OCCNC(=O)c2cnn3ccc1nc23
InChIInChI=1S/2C19H19ClFN5O.C18H17ClFN5O.2C18H16ClFN4O2.C17H15ClFN5O2.CH4/c2*1-11-13-10-23-26-8-6-16(24-19(13)26)25(3)12(2)17-15(27-9-7-22-11)5-4-14(21)18(17)20;1-10-12-9-22-25-7-5-15(24-18(12)25)23-11(2)16-14(26-8-6-21-10)4-3-13(20)17(16)19;1-10-8-25-15-4-3-14(20)17(19)13(15)9-26-16-5-6-24-18(23-16)12(7-21-24)11(2)22-10;1-10-7-21-11(2)12-8-22-24-6-5-16(23-18(12)24)25-9-13-15(26-10)4-3-14(20)17(13)19;1-23-9-11-13(3-2-12(19)15(11)18)26-7-5-20-17(25)10-8-21-24-6-4-14(23)22-16(10)24;/h2*4-6,8,10,12,22H,1,7,9H2,2-3H3;3-5,7,9,11,21H,1,6,8H2,2H3,(H,23,24);3-7,10,22H,2,8-9H2,1H3;3-6,8,10,21H,2,7,9H2,1H3;2-4,6,8H,5,7,9H2,1H3,(H,20,25);1H4/t12-;;;;;;/m1....../s1
InChIKeyHJJRJEUGWIAUDZ-ANFOYOKBSA-N
MW2290.95 g/mol
LogP20.79
Rot. Bonds

About (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane

(3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane (PubChem CID 158496748) has the molecular formula C110H106Cl6F6N28O9 and a molecular weight of 2290.95 g/mol. Its IUPAC name is (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane.

Molecular Properties

Compound Name(3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane
PubChem CID158496748
Molecular FormulaC110H106Cl6F6N28O9
Molecular Weight2290.95 g/mol
Exact Mass2286.67
IUPAC Name(3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane
SMILESC.C=C1NC(C)COc2ccc(F)c(Cl)c2COc2ccn3ncc1c3n2.C=C1NCC(C)Oc2ccc(F)c(Cl)c2COc2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2C(C)N(C)c2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2C(C)Nc2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2[C@@H](C)N(C)c2ccn3ncc1c3n2.CN1Cc2c(ccc(F)c2Cl)OCCNC(=O)c2cnn3ccc1nc23
InChIInChI=1S/2C19H19ClFN5O.C18H17ClFN5O.2C18H16ClFN4O2.C17H15ClFN5O2.CH4/c2*1-11-13-10-23-26-8-6-16(24-19(13)26)25(3)12(2)17-15(27-9-7-22-11)5-4-14(21)18(17)20;1-10-12-9-22-25-7-5-15(24-18(12)25)23-11(2)16-14(26-8-6-21-10)4-3-13(20)17(16)19;1-10-8-25-15-4-3-14(20)17(19)13(15)9-26-16-5-6-24-18(23-16)12(7-21-24)11(2)22-10;1-10-7-21-11(2)12-8-22-24-6-5-16(23-18(12)24)25-9-13-15(26-10)4-3-14(20)17(13)19;1-23-9-11-13(3-2-12(19)15(11)18)26-7-5-20-17(25)10-8-21-24-6-4-14(23)22-16(10)24;/h2*4-6,8,10,12,22H,1,7,9H2,2-3H3;3-5,7,9,11,21H,1,6,8H2,2H3,(H,23,24);3-7,10,22H,2,8-9H2,1H3;3-6,8,10,21H,2,7,9H2,1H3;2-4,6,8H,5,7,9H2,1H3,(H,20,25);1H4/t12-;;;;;;/m1....../s1
InChIKeyHJJRJEUGWIAUDZ-ANFOYOKBSA-N
XLogP20.79
TPSA365.98 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002290.95
LogP ≤ 520.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Analyze (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane?
The IUPAC name of (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane (CID 158496748) is (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane.
What is the SMILES notation for (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane?
The canonical SMILES for (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane is C.C=C1NC(C)COc2ccc(F)c(Cl)c2COc2ccn3ncc1c3n2.C=C1NCC(C)Oc2ccc(F)c(Cl)c2COc2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2C(C)N(C)c2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2C(C)Nc2ccn3ncc1c3n2.C=C1NCCOc2ccc(F)c(Cl)c2[C@@H](C)N(C)c2ccn3ncc1c3n2.CN1Cc2c(ccc(F)c2Cl)OCCNC(=O)c2cnn3ccc1nc23.
What is the InChIKey of (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane?
The InChIKey is HJJRJEUGWIAUDZ-ANFOYOKBSA-N. The full InChI is InChI=1S/2C19H19ClFN5O.C18H17ClFN5O.2C18H16ClFN4O2.C17H15ClFN5O2.CH4/c2*1-11-13-10-23-26-8-6-16(24-19(13)26)25(3)12(2)17-15(27-9-7-22-11)5-4-14(21)18(17)20;1-10-12-9-22-25-7-5-15(24-18(12)25)23-11(2)16-14(26-8-6-21-10)4-3-13(20)17(16)19;1-10-8-25-15-4-3-14(20)17(19)13(15)9-26-16-5-6-24-18(23-16)12(7-21-24)11(2)22-10;1-10-7-21-11(2)12-8-22-24-6-5-16(23-18(12)24)25-9-13-15(26-10)4-3-14(20)17(13)19;1-23-9-11-13(3-2-12(19)15(11)18)26-7-5-20-17(25)10-8-21-24-6-4-14(23)22-16(10)24;/h2*4-6,8,10,12,22H,1,7,9H2,2-3H3;3-5,7,9,11,21H,1,6,8H2,2H3,(H,23,24);3-7,10,22H,2,8-9H2,1H3;3-6,8,10,21H,2,7,9H2,1H3;2-4,6,8H,5,7,9H2,1H3,(H,20,25);1H4/t12-;;;;;;/m1....../s1.
What are the key properties of (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane?
(3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane has a molecular weight of 2290.95 g/mol, XLogP of 20.79, 0 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-2,3-dimethyl-14-methylidene-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;5-chloro-6-fluoro-11-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-12-methyl-14-methylidene-2,10-dioxa-13,17,18,21-tetrazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;5-chloro-6-fluoro-3-methyl-14-methylidene-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;5-chloro-6-fluoro-2-methyl-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-heptaen-14-one;methane is sourced from PubChem (CID 158496748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).