7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine

C38H24F6N8O — CID 139233224

IUPAC7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccc(Oc3ccc(-c4nnc(C)c5nn(-c6ccc(C(F)(F)F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C38H24F6N8O/c1-21-33-31(19-51(49-33)27-11-7-25(8-12-27)37(39,40)41)35(47-45-21)23-3-15-29(16-4-23)53-30-17-5-24(6-18-30)36-32-20-52(50-34(32)22(2)46-48-36)28-13-9-26(10-14-28)38(42,43)44/h3-20H,1-2H3
InChIKeyBLCZBLQRHNHYHS-UHFFFAOYSA-N
MW722.65 g/mol
LogP9.73
Rot. Bonds6

About 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine

7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine (PubChem CID 139233224) has the molecular formula C38H24F6N8O and a molecular weight of 722.65 g/mol. Its IUPAC name is 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine.

Molecular Properties

Compound Name7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine
PubChem CID139233224
Molecular FormulaC38H24F6N8O
Molecular Weight722.65 g/mol
Exact Mass722.20
IUPAC Name7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine
SMILESCc1nnc(-c2ccc(Oc3ccc(-c4nnc(C)c5nn(-c6ccc(C(F)(F)F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C38H24F6N8O/c1-21-33-31(19-51(49-33)27-11-7-25(8-12-27)37(39,40)41)35(47-45-21)23-3-15-29(16-4-23)53-30-17-5-24(6-18-30)36-32-20-52(50-34(32)22(2)46-48-36)28-13-9-26(10-14-28)38(42,43)44/h3-20H,1-2H3
InChIKeyBLCZBLQRHNHYHS-UHFFFAOYSA-N
XLogP9.73
TPSA96.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.65
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine with MolForge

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Related Compounds

US10034861, Example 165
CID 132273284
2-Methyl-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
CID 44530458
4-[4-(2-Fluoroethyl)triazol-1-yl]-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193712
US11535611, Example 87
CID 142608439
US10806718, Example 165
CID 146593933
3-(4-ethoxyphenyl)-8-fluoro-1-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990646
4-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-1-(4-phenoxyphenyl)triazole
CID 132211937
1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(4-phenoxyphenyl)triazole
CID 132211980
1-[4-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(4-methoxyphenyl)triazole
CID 132224485
1-[(1,3-Diphenylpyrazol-4-yl)methyl]-4-(4-methoxyphenyl)triazole
CID 145971365
1-[[3-(4-Methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-phenyltriazole
CID 145975402
4-(4-Methoxyphenyl)-7-methyl-2-(p-tolyl)pyrazolo[3,4-d]pyridazine
CID 42600928

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine?
The IUPAC name of 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine (CID 139233224) is 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine.
What is the SMILES notation for 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine?
The canonical SMILES for 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine is Cc1nnc(-c2ccc(Oc3ccc(-c4nnc(C)c5nn(-c6ccc(C(F)(F)F)cc6)cc45)cc3)cc2)c2cn(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine?
The InChIKey is BLCZBLQRHNHYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F6N8O/c1-21-33-31(19-51(49-33)27-11-7-25(8-12-27)37(39,40)41)35(47-45-21)23-3-15-29(16-4-23)53-30-17-5-24(6-18-30)36-32-20-52(50-34(32)22(2)46-48-36)28-13-9-26(10-14-28)38(42,43)44/h3-20H,1-2H3.
What are the key properties of 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine?
7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine has a molecular weight of 722.65 g/mol, XLogP of 9.73, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[4-[4-[7-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazin-4-yl]phenoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyridazine is sourced from PubChem (CID 139233224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).