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

C20H23F3N4O3 — CID 11235590

IUPAC6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine
SMILESCCC(CC)n1nc(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(OC)nc21
InChIInChI=1S/C20H23F3N4O3/c1-6-12(7-2)27-18-16(11(3)26-27)24-17(19(25-18)29-5)14-9-8-13(10-15(14)28-4)30-20(21,22)23/h8-10,12H,6-7H2,1-5H3
InChIKeyHYURDKIHMQOXOZ-UHFFFAOYSA-N
MW424.42 g/mol
LogP5.08
Rot. Bonds7

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

6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine (PubChem CID 11235590) has the molecular formula C20H23F3N4O3 and a molecular weight of 424.42 g/mol. Its IUPAC name is 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine
PubChem CID11235590
Molecular FormulaC20H23F3N4O3
Molecular Weight424.42 g/mol
Exact Mass424.17
IUPAC Name6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine
SMILESCCC(CC)n1nc(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(OC)nc21
InChIInChI=1S/C20H23F3N4O3/c1-6-12(7-2)27-18-16(11(3)26-27)24-17(19(25-18)29-5)14-9-8-13(10-15(14)28-4)30-20(21,22)23/h8-10,12H,6-7H2,1-5H3
InChIKeyHYURDKIHMQOXOZ-UHFFFAOYSA-N
XLogP5.08
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine?
The IUPAC name of 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine (CID 11235590) is 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine.
What is the SMILES notation for 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine?
The canonical SMILES for 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine is CCC(CC)n1nc(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(OC)nc21.
What is the InChIKey of 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine?
The InChIKey is HYURDKIHMQOXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O3/c1-6-12(7-2)27-18-16(11(3)26-27)24-17(19(25-18)29-5)14-9-8-13(10-15(14)28-4)30-20(21,22)23/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine?
6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine has a molecular weight of 424.42 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[4,5-b]pyrazine is sourced from PubChem (CID 11235590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).