5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine

C38H40F6N8O4 — CID 11251323

IUPAC5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
SMILESCCC(CC)n1nc(-c2nn(C(CC)CC)c3nc(C)c(-c4ccc(OC(F)(F)F)cc4OC)nc23)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)nc21
InChIInChI=1S/C38H40F6N8O4/c1-9-21(10-2)51-35-33(47-29(19(5)45-35)25-15-13-23(17-27(25)53-7)55-37(39,40)41)31(49-51)32-34-36(52(50-32)22(11-3)12-4)46-20(6)30(48-34)26-16-14-24(18-28(26)54-8)56-38(42,43)44/h13-18,21-22H,9-12H2,1-8H3
InChIKeyHAMCWMIJNZEOPE-UHFFFAOYSA-N
MW786.78 g/mol
LogP10.12
Rot. Bonds13

About 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine

5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine (PubChem CID 11251323) has the molecular formula C38H40F6N8O4 and a molecular weight of 786.78 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
PubChem CID11251323
Molecular FormulaC38H40F6N8O4
Molecular Weight786.78 g/mol
Exact Mass786.31
IUPAC Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
SMILESCCC(CC)n1nc(-c2nn(C(CC)CC)c3nc(C)c(-c4ccc(OC(F)(F)F)cc4OC)nc23)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)nc21
InChIInChI=1S/C38H40F6N8O4/c1-9-21(10-2)51-35-33(47-29(19(5)45-35)25-15-13-23(17-27(25)53-7)55-37(39,40)41)31(49-51)32-34-36(52(50-32)22(11-3)12-4)46-20(6)30(48-34)26-16-14-24(18-28(26)54-8)56-38(42,43)44/h13-18,21-22H,9-12H2,1-8H3
InChIKeyHAMCWMIJNZEOPE-UHFFFAOYSA-N
XLogP10.12
TPSA124.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500786.78
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine (CID 11251323) is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine is CCC(CC)n1nc(-c2nn(C(CC)CC)c3nc(C)c(-c4ccc(OC(F)(F)F)cc4OC)nc23)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)nc21.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is HAMCWMIJNZEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40F6N8O4/c1-9-21(10-2)51-35-33(47-29(19(5)45-35)25-15-13-23(17-27(25)53-7)55-37(39,40)41)31(49-51)32-34-36(52(50-32)22(11-3)12-4)46-20(6)30(48-34)26-16-14-24(18-28(26)54-8)56-38(42,43)44/h13-18,21-22H,9-12H2,1-8H3.
What are the key properties of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine?
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 786.78 g/mol, XLogP of 10.12, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 11251323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).