4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine

C42H29Cl2F3N10 — CID 134413659

About 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine

4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine (PubChem CID 134413659) has the molecular formula C42H29Cl2F3N10 and a molecular weight of 801.66 g/mol. Its IUPAC name is 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine.

Molecular Properties

• Compound Name: 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
• PubChem CID: 134413659
• Molecular Formula: C42H29Cl2F3N10
• Molecular Weight: 801.66 g/mol
• Exact Mass: 800.19
• IUPAC Name: 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine
• SMILES: FC(F)(F)CCn1nc(-c2cccc(-c3cn(CCn4nc(-c5ccccc5)c5c(Cl)c(-c6ccccc6)nnc54)cn3)c2)c2c(Cl)c(-c3ccccc3)nnc21
• InChI: InChI=1S/C42H29Cl2F3N10/c43-34-32-36(26-11-4-1-5-12-26)53-57(41(32)52-50-38(34)27-13-6-2-7-14-27)22-21-55-24-31(48-25-55)29-17-10-18-30(23-29)37-33-35(44)39(28-15-8-3-9-16-28)49-51-40(33)56(54-37)20-19-42(45,46)47/h1-18,23-25H,19-22H2
• InChIKey: ZXMBVVNVUFBMHV-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 105.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.66
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The IUPAC name of 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine (CID 134413659) is 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine.

What is the SMILES notation for 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The canonical SMILES for 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine is FC(F)(F)CCn1nc(-c2cccc(-c3cn(CCn4nc(-c5ccccc5)c5c(Cl)c(-c6ccccc6)nnc54)cn3)c2)c2c(Cl)c(-c3ccccc3)nnc21.

What is the InChIKey of 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

The InChIKey is ZXMBVVNVUFBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29Cl2F3N10/c43-34-32-36(26-11-4-1-5-12-26)53-57(41(32)52-50-38(34)27-13-6-2-7-14-27)22-21-55-24-31(48-25-55)29-17-10-18-30(23-29)37-33-35(44)39(28-15-8-3-9-16-28)49-51-40(33)56(54-37)20-19-42(45,46)47/h1-18,23-25H,19-22H2.

What are the key properties of 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine?

4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine has a molecular weight of 801.66 g/mol, XLogP of 10.46, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-[2-[4-[3-[4-chloro-5-phenyl-1-(3,3,3-trifluoropropyl)pyrazolo[3,4-c]pyridazin-3-yl]phenyl]imidazol-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine is sourced from PubChem (CID 134413659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).