(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile

C122H102Cl6F6N30O12 — CID 167543929

About (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile

(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile (PubChem CID 167543929) has the molecular formula C122H102Cl6F6N30O12 and a molecular weight of 2507.06 g/mol. Its IUPAC name is (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile.

Molecular Properties

• Compound Name: (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile
• PubChem CID: 167543929
• Molecular Formula: C122H102Cl6F6N30O12
• Molecular Weight: 2507.06 g/mol
• Exact Mass: 2502.63
• IUPAC Name: (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile
• SMILES: CC(F)n1ncc2c1-c1ccnc(c1)[C@@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2.CC(F)n1ncc2c1-c1ccnc(c1)[C@@H](c1coc(-c3cc(Cl)ccc3-n3cc(C#N)nn3)cc1=O)CCC[C@@H](C)C(=O)N2.CC(F)n1ncc2c1-c1ccnc(c1)[C@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2.CC(F)n1ncc2c1-c1ccnc(c1)[C@H](c1coc(-c3cc(Cl)ccc3-n3cc(C#N)nn3)cc1=O)CCC[C@@H](C)C(=O)N2
• InChI: InChI=1S/2C31H26ClFN8O3.2C30H25Cl2F2N7O3/c2*1-17-4-3-5-22(25-10-19(8-9-35-25)30-26(37-31(17)43)14-36-41(30)18(2)33)24-16-44-29(12-28(24)42)23-11-20(32)6-7-27(23)40-15-21(13-34)38-39-40;2*1-15-4-3-5-18(21-10-17(8-9-35-21)29-22(37-30(15)43)12-36-41(29)16(2)33)19-14-44-25(11-24(19)42)27-23(7-6-20(31)28(27)34)40-13-26(32)38-39-40/h2*6-12,14-18,22H,3-5H2,1-2H3,(H,37,43);2*6-16,18H,3-5H2,1-2H3,(H,37,43)/t17-,18?,22+;17-,18?,22-;15-,16?,18+;15-,16?,18-/m1111/s1
• InChIKey: BNVCXBDEOWFJCB-UZBYLXRJSA-N
• XLogP: 26.04
• TPSA: 530.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2507.06
LogP ≤ 5	26.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile?

The IUPAC name of (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile (CID 167543929) is (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile.

What is the SMILES notation for (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile?

The canonical SMILES for (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile is CC(F)n1ncc2c1-c1ccnc(c1)[C@@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2.CC(F)n1ncc2c1-c1ccnc(c1)[C@@H](c1coc(-c3cc(Cl)ccc3-n3cc(C#N)nn3)cc1=O)CCC[C@@H](C)C(=O)N2.CC(F)n1ncc2c1-c1ccnc(c1)[C@H](c1coc(-c3c(-n4cc(Cl)nn4)ccc(Cl)c3F)cc1=O)CCC[C@@H](C)C(=O)N2.CC(F)n1ncc2c1-c1ccnc(c1)[C@H](c1coc(-c3cc(Cl)ccc3-n3cc(C#N)nn3)cc1=O)CCC[C@@H](C)C(=O)N2.

What is the InChIKey of (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile?

The InChIKey is BNVCXBDEOWFJCB-UZBYLXRJSA-N. The full InChI is InChI=1S/2C31H26ClFN8O3.2C30H25Cl2F2N7O3/c2*1-17-4-3-5-22(25-10-19(8-9-35-25)30-26(37-31(17)43)14-36-41(30)18(2)33)24-16-44-29(12-28(24)42)23-11-20(32)6-7-27(23)40-15-21(13-34)38-39-40;2*1-15-4-3-5-18(21-10-17(8-9-35-21)29-22(37-30(15)43)12-36-41(29)16(2)33)19-14-44-25(11-24(19)42)27-23(7-6-20(31)28(27)34)40-13-26(32)38-39-40/h2*6-12,14-18,22H,3-5H2,1-2H3,(H,37,43);2*6-16,18H,3-5H2,1-2H3,(H,37,43)/t17-,18?,22+;17-,18?,22-;15-,16?,18+;15-,16?,18-/m1111/s1.

What are the key properties of (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile?

(9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile has a molecular weight of 2507.06 g/mol, XLogP of 26.04, 16 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (9R,13R)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[6-[3-chloro-6-(4-chlorotriazol-1-yl)-2-fluorophenyl]-4-oxopyran-3-yl]-3-(1-fluoroethyl)-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;1-[4-chloro-2-[5-[(9R,13R)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile;1-[4-chloro-2-[5-[(9R,13S)-3-(1-fluoroethyl)-9-methyl-8-oxo-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-13-yl]-4-oxopyran-2-yl]phenyl]triazole-4-carbonitrile is sourced from PubChem (CID 167543929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).