6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole

C91H92F2N26S — CID 164962355

About 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole

6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole (PubChem CID 164962355) has the molecular formula C91H92F2N26S and a molecular weight of 1619.98 g/mol. Its IUPAC name is 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole
• PubChem CID: 164962355
• Molecular Formula: C91H92F2N26S
• Molecular Weight: 1619.98 g/mol
• Exact Mass: 1618.77
• IUPAC Name: 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole
• SMILES: Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-c4ncc(C)s4)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4cc(F)cn4)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4cnc(F)c4)cc3)nc2)n1
• InChI: InChI=1S/C31H32N8S.2C30H30FN9/c1-19-10-25(12-26-11-20(2)36-37-26)35-30(34-19)24-8-9-29(32-15-24)38-17-27-13-28(18-38)39(27)16-22-4-6-23(7-5-22)31-33-14-21(3)40-31;1-19-9-24(11-25-10-20(2)36-37-25)35-30(34-19)22-5-8-29(32-13-22)38-17-27-12-28(18-38)39(27)15-21-3-6-26(7-4-21)40-16-23(31)14-33-40;1-19-9-23(11-24-10-20(2)36-37-24)35-30(34-19)22-5-8-29(32-13-22)38-15-26-12-27(16-38)40(26)14-21-3-6-25(7-4-21)39-17-28(31)33-18-39/h4-11,14-15,27-28H,12-13,16-18H2,1-3H3,(H,36,37);3-10,13-14,16,27-28H,11-12,15,17-18H2,1-2H3,(H,36,37);3-10,13,17-18,26-27H,11-12,14-16H2,1-2H3,(H,36,37)
• InChIKey: BZXYXVNWJTWRIB-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 270.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1619.98
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole?

The IUPAC name of 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole (CID 164962355) is 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole.

What is the SMILES notation for 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole?

The canonical SMILES for 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole is Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-c4ncc(C)s4)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4cc(F)cn4)cc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4cnc(F)c4)cc3)nc2)n1.

What is the InChIKey of 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole?

The InChIKey is BZXYXVNWJTWRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8S.2C30H30FN9/c1-19-10-25(12-26-11-20(2)36-37-26)35-30(34-19)24-8-9-29(32-15-24)38-17-27-13-28(18-38)39(27)16-22-4-6-23(7-5-22)31-33-14-21(3)40-31;1-19-9-24(11-25-10-20(2)36-37-25)35-30(34-19)22-5-8-29(32-13-22)38-17-27-12-28(18-38)39(27)15-21-3-6-26(7-4-21)40-16-23(31)14-33-40;1-19-9-23(11-24-10-20(2)36-37-24)35-30(34-19)22-5-8-29(32-13-22)38-15-26-12-27(16-38)40(26)14-21-3-6-25(7-4-21)39-17-28(31)33-18-39/h4-11,14-15,27-28H,12-13,16-18H2,1-3H3,(H,36,37);3-10,13-14,16,27-28H,11-12,15,17-18H2,1-2H3,(H,36,37);3-10,13,17-18,26-27H,11-12,14-16H2,1-2H3,(H,36,37).

What are the key properties of 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole?

6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole has a molecular weight of 1619.98 g/mol, XLogP of 13.88, 21 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(4-fluoroimidazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;6-[[4-(4-fluoropyrazol-1-yl)phenyl]methyl]-3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane;5-methyl-2-[4-[[3-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 164962355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).