10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C180H184F8N84O7 — CID 157359381

About 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 157359381) has the molecular formula C180H184F8N84O7 and a molecular weight of 3788.02 g/mol. Its IUPAC name is 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

• Compound Name: 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
• PubChem CID: 157359381
• Molecular Formula: C180H184F8N84O7
• Molecular Weight: 3788.02 g/mol
• Exact Mass: 3785.65
• IUPAC Name: 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
• SMILES: COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5nccnc5C)nc43)CC2)c(F)c1.COCc1nc(-c2ccc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6cnccn6)nc54)CC3)c2)no1.Cc1cc(-c2ccc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6nccnc6C)nc54)CC3)c2)on1.Cc1nc(-c2ccc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6nccnc6C)nc54)CC3)c2)co1.Cc1ncc(-c2ccc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6cnccn6)nc54)CC3)c2)o1.Cc1nccnc1-c1nc2c3cnn(CCN4CCN(c5ccc(F)cc5F)CC4)c3nc(N)n2n1.Cc1nn(C)c2cc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6cnccn6)nc54)CC3)cc12
• InChI: InChI=1S/2C27H27FN12O.C26H26FN13O2.C26H25FN12O.C26H30FN11O2.C25H26FN13.C23H23F2N11/c1-16-23(31-6-5-30-16)24-34-26-19-14-32-39(25(19)35-27(29)40(26)36-24)12-9-37-7-10-38(11-8-37)22-13-18(3-4-20(22)28)21-15-41-17(2)33-21;1-16-13-22(41-36-16)18-3-4-20(28)21(14-18)38-10-7-37(8-11-38)9-12-39-25-19(15-32-39)26-33-24(35-40(26)27(29)34-25)23-17(2)30-5-6-31-23;1-41-15-21-32-22(36-42-21)16-2-3-18(27)20(12-16)38-9-6-37(7-10-38)8-11-39-24-17(13-31-39)25-33-23(19-14-29-4-5-30-19)35-40(25)26(28)34-24;1-16-31-15-22(40-16)17-2-3-19(27)21(12-17)37-9-6-36(7-10-37)8-11-38-24-18(13-32-38)25-33-23(20-14-29-4-5-30-20)35-39(25)26(28)34-24;1-17-22(30-6-5-29-17)23-32-25-19-16-31-37(24(19)33-26(28)38(25)34-23)12-9-35-7-10-36(11-8-35)21-4-3-18(15-20(21)27)40-14-13-39-2;1-15-16-11-21(18(26)12-20(16)35(2)33-15)37-8-5-36(6-9-37)7-10-38-23-17(13-30-38)24-31-22(19-14-28-3-4-29-19)34-39(24)25(27)32-23;1-14-19(28-5-4-27-14)20-30-22-16-13-29-35(21(16)31-23(26)36(22)32-20)11-8-33-6-9-34(10-7-33)18-3-2-15(24)12-17(18)25/h3-6,13-15H,7-12H2,1-2H3,(H2,29,35);3-6,13-15H,7-12H2,1-2H3,(H2,29,34);2-5,12-14H,6-11,15H2,1H3,(H2,28,34);2-5,12-15H,6-11H2,1H3,(H2,28,34);3-6,15-16H,7-14H2,1-2H3,(H2,28,33);3-4,11-14H,5-10H2,1-2H3,(H2,27,32);2-5,12-13H,6-11H2,1H3,(H2,26,31)
• InChIKey: BILLNILQKCTLKL-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 996.78 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 91
• Rotatable Bonds: 45
• Heavy Atoms: 279
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3788.02
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	91

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The IUPAC name of 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 157359381) is 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

What is the SMILES notation for 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The canonical SMILES for 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5nccnc5C)nc43)CC2)c(F)c1.COCc1nc(-c2ccc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6cnccn6)nc54)CC3)c2)no1.Cc1cc(-c2ccc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6nccnc6C)nc54)CC3)c2)on1.Cc1nc(-c2ccc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6nccnc6C)nc54)CC3)c2)co1.Cc1ncc(-c2ccc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6cnccn6)nc54)CC3)c2)o1.Cc1nccnc1-c1nc2c3cnn(CCN4CCN(c5ccc(F)cc5F)CC4)c3nc(N)n2n1.Cc1nn(C)c2cc(F)c(N3CCN(CCn4ncc5c4nc(N)n4nc(-c6cnccn6)nc54)CC3)cc12.

What is the InChIKey of 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

The InChIKey is BILLNILQKCTLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H27FN12O.C26H26FN13O2.C26H25FN12O.C26H30FN11O2.C25H26FN13.C23H23F2N11/c1-16-23(31-6-5-30-16)24-34-26-19-14-32-39(25(19)35-27(29)40(26)36-24)12-9-37-7-10-38(11-8-37)22-13-18(3-4-20(22)28)21-15-41-17(2)33-21;1-16-13-22(41-36-16)18-3-4-20(28)21(14-18)38-10-7-37(8-11-38)9-12-39-25-19(15-32-39)26-33-24(35-40(26)27(29)34-25)23-17(2)30-5-6-31-23;1-41-15-21-32-22(36-42-21)16-2-3-18(27)20(12-16)38-9-6-37(7-10-38)8-11-39-24-17(13-31-39)25-33-23(19-14-29-4-5-30-19)35-40(25)26(28)34-24;1-16-31-15-22(40-16)17-2-3-19(27)21(12-17)37-9-6-36(7-10-37)8-11-38-24-18(13-32-38)25-33-23(20-14-29-4-5-30-20)35-39(25)26(28)34-24;1-17-22(30-6-5-29-17)23-32-25-19-16-31-37(24(19)33-26(28)38(25)34-23)12-9-35-7-10-36(11-8-35)21-4-3-18(15-20(21)27)40-14-13-39-2;1-15-16-11-21(18(26)12-20(16)35(2)33-15)37-8-5-36(6-9-37)7-10-38-23-17(13-30-38)24-31-22(19-14-28-3-4-29-19)34-39(24)25(27)32-23;1-14-19(28-5-4-27-14)20-30-22-16-13-29-35(21(16)31-23(26)36(22)32-20)11-8-33-6-9-34(10-7-33)18-3-2-15(24)12-17(18)25/h3-6,13-15H,7-12H2,1-2H3,(H2,29,35);3-6,13-15H,7-12H2,1-2H3,(H2,29,34);2-5,12-14H,6-11,15H2,1H3,(H2,28,34);2-5,12-15H,6-11H2,1H3,(H2,28,34);3-6,15-16H,7-14H2,1-2H3,(H2,28,33);3-4,11-14H,5-10H2,1-2H3,(H2,27,32);2-5,12-13H,6-11H2,1H3,(H2,26,31).

What are the key properties of 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?

10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 3788.02 g/mol, XLogP of 15.00, 45 rotatable bonds, 7 hydrogen bond donors, and 91 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-(6-fluoro-1,3-dimethylindazol-5-yl)piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-4-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(3-methyl-1,2-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-(3-methylpyrazin-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine;10-[2-[4-[2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethyl]-4-pyrazin-2-yl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 157359381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).