(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-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

C74H74Cl4F4N20O5 — CID 158726222

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-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=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.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;1-23-9-11-13(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);2-4,6,8H,5,7,9H2,1H3,(H,20,25);1H4/t12-;;;;/m1..../s1
InChIKeyIKNMHHUFWIGKNZ-HHUWXINPSA-N
MW1541.34 g/mol
LogP13.91
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-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-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 158726222) has the molecular formula C74H74Cl4F4N20O5 and a molecular weight of 1541.34 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-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-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 CID158726222
Molecular FormulaC74H74Cl4F4N20O5
Molecular Weight1541.34 g/mol
Exact Mass1538.48
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-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=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.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;1-23-9-11-13(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);2-4,6,8H,5,7,9H2,1H3,(H,20,25);1H4/t12-;;;;/m1..../s1
InChIKeyIKNMHHUFWIGKNZ-HHUWXINPSA-N
XLogP13.91
TPSA244.62 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001541.34
LogP ≤ 513.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

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-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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Related Compounds

US10246466, Example 39
CID 118265507
US10246466, Example 52
CID 136953041
(3R)-5-chloro-6-fluoro-2,3-dimethyl-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
CID 124166784
5-Chloro-6-fluoro-2,3-dimethyl-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
CID 124166787
(11S)-5-chloro-6-fluoro-11-methyl-2-propan-2-yl-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
CID 134220319
5-Chloro-6-fluoro-2-propan-2-yl-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
CID 134220379
6-[(3-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-methylidene-1-(oxan-4-yl)-6-(pyrimidin-2-ylmethyl)-5H-pyrazolo[5,4-b]pyridine;1-(oxolan-3-yl)-6-[[2-(trifluoromethoxy)phenyl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137099655
(3R,12S)-6-fluoro-12-(fluoromethyl)-19-[[[(3R,11R)-6-fluoro-3-methyl-14-oxo-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-11-yl]methyl-methylamino]methyl]-3-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
CID 137291197
(3R,11S)-5-chloro-6-fluoro-3,11-dimethyl-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
CID 137299659
(11S)-16-amino-5-chloro-2-ethyl-6-fluoro-11-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
CID 137455328
5-Chloro-6-fluoro-13-(pyrrolidin-2-ylmethyl)-2,10-dioxa-13,17,18,21-tetrazapentacyclo[13.5.2.03,12.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
CID 154981641
5-Chloro-6-fluoro-10-oxa-2,13,17,18,21-pentazapentacyclo[13.5.2.03,12.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
CID 154981684

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-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-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 158726222) 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-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-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-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=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-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 IKNMHHUFWIGKNZ-HHUWXINPSA-N. The full InChI is InChI=1S/2C19H19ClFN5O.C18H17ClFN5O.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;1-23-9-11-13(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);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-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-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 1541.34 g/mol, XLogP of 13.91, 0 rotatable bonds, 5 hydrogen bond donors, and 24 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-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 158726222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).