6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine

C57H51F5N16 — CID 177367902

About 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine

6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine (PubChem CID 177367902) has the molecular formula C57H51F5N16 and a molecular weight of 1055.14 g/mol. Its IUPAC name is 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine
• PubChem CID: 177367902
• Molecular Formula: C57H51F5N16
• Molecular Weight: 1055.14 g/mol
• Exact Mass: 1054.44
• IUPAC Name: 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine
• SMILES: CCCNC(C)c1ccc(C(F)(F)F)c(-c2cnn(-c3cc(-c4ccc(F)cc4-c4nncn4CCn4cnnc4-c4cc(F)ccc4-c4cc(C5CC5)nc(-n5cc(-c6nc(N)ccc6C)cn5)c4)cc(C4CC4)n3)c2)n1
• InChI: InChI=1S/C57H51F5N16/c1-4-17-64-33(3)47-15-14-46(57(60,61)62)54(71-47)39-27-68-78(29-39)52-23-37(21-49(70-52)35-8-9-35)43-13-11-41(59)25-45(43)56-74-66-31-76(56)19-18-75-30-65-73-55(75)44-24-40(58)10-12-42(44)36-20-48(34-6-7-34)69-51(22-36)77-28-38(26-67-77)53-32(2)5-16-50(63)72-53/h5,10-16,20-31,33-35,64H,4,6-9,17-19H2,1-3H3,(H2,63,72)
• InChIKey: PKYMMAVLNKXEEL-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 186.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.14
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine?

The IUPAC name of 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine (CID 177367902) is 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine.

What is the SMILES notation for 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine?

The canonical SMILES for 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine is CCCNC(C)c1ccc(C(F)(F)F)c(-c2cnn(-c3cc(-c4ccc(F)cc4-c4nncn4CCn4cnnc4-c4cc(F)ccc4-c4cc(C5CC5)nc(-n5cc(-c6nc(N)ccc6C)cn5)c4)cc(C4CC4)n3)c2)n1.

What is the InChIKey of 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine?

The InChIKey is PKYMMAVLNKXEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51F5N16/c1-4-17-64-33(3)47-15-14-46(57(60,61)62)54(71-47)39-27-68-78(29-39)52-23-37(21-49(70-52)35-8-9-35)43-13-11-41(59)25-45(43)56-74-66-31-76(56)19-18-75-30-65-73-55(75)44-24-40(58)10-12-42(44)36-20-48(34-6-7-34)69-51(22-36)77-28-38(26-67-77)53-32(2)5-16-50(63)72-53/h5,10-16,20-31,33-35,64H,4,6-9,17-19H2,1-3H3,(H2,63,72).

What are the key properties of 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine?

6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine has a molecular weight of 1055.14 g/mol, XLogP of 11.53, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[6-cyclopropyl-4-[2-[4-[2-[3-[2-[2-cyclopropyl-6-[4-[6-[1-(propylamino)ethyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-2-pyridinyl]pyrazol-4-yl]-5-methylpyridin-2-amine is sourced from PubChem (CID 177367902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).