4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine

C20H25N3O2 — CID 90869563

IUPAC4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
SMILESCCOc1nn(Cc2ccc(OC)cc2)c2nccc(C(C)(C)C)c12
InChIInChI=1S/C20H25N3O2/c1-6-25-19-17-16(20(2,3)4)11-12-21-18(17)23(22-19)13-14-7-9-15(24-5)10-8-14/h7-12H,6,13H2,1-5H3
InChIKeyFYOBLJVEUBHSQG-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.18
Rot. Bonds5

About 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine

4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine (PubChem CID 90869563) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
PubChem CID90869563
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
SMILESCCOc1nn(Cc2ccc(OC)cc2)c2nccc(C(C)(C)C)c12
InChIInChI=1S/C20H25N3O2/c1-6-25-19-17-16(20(2,3)4)11-12-21-18(17)23(22-19)13-14-7-9-15(24-5)10-8-14/h7-12H,6,13H2,1-5H3
InChIKeyFYOBLJVEUBHSQG-UHFFFAOYSA-N
XLogP4.18
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine (CID 90869563) is 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine is CCOc1nn(Cc2ccc(OC)cc2)c2nccc(C(C)(C)C)c12.
What is the InChIKey of 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
The InChIKey is FYOBLJVEUBHSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-6-25-19-17-16(20(2,3)4)11-12-21-18(17)23(22-19)13-14-7-9-15(24-5)10-8-14/h7-12H,6,13H2,1-5H3.
What are the key properties of 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine?
4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine has a molecular weight of 339.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-ethoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 90869563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).