6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine

C25H27N3O — CID 50793639

IUPAC6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(OCc4cc(C)ccc4C)nc32)cc1
InChIInChI=1S/C25H27N3O/c1-6-20-9-11-22(12-10-20)28-25-24(19(5)27-28)18(4)14-23(26-25)29-15-21-13-16(2)7-8-17(21)3/h7-14H,6,15H2,1-5H3
InChIKeyPUVHOPRQZPEEKT-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.80
Rot. Bonds5

About 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine

6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 50793639) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine
PubChem CID50793639
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine
SMILESCCc1ccc(-n2nc(C)c3c(C)cc(OCc4cc(C)ccc4C)nc32)cc1
InChIInChI=1S/C25H27N3O/c1-6-20-9-11-22(12-10-20)28-25-24(19(5)27-28)18(4)14-23(26-25)29-15-21-13-16(2)7-8-17(21)3/h7-14H,6,15H2,1-5H3
InChIKeyPUVHOPRQZPEEKT-UHFFFAOYSA-N
XLogP5.80
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine (CID 50793639) is 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine is CCc1ccc(-n2nc(C)c3c(C)cc(OCc4cc(C)ccc4C)nc32)cc1.
What is the InChIKey of 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is PUVHOPRQZPEEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-6-20-9-11-22(12-10-20)28-25-24(19(5)27-28)18(4)14-23(26-25)29-15-21-13-16(2)7-8-17(21)3/h7-14H,6,15H2,1-5H3.
What are the key properties of 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine?
6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 385.51 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylphenyl)methoxy]-1-(4-ethylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 50793639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).