1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile

C15H12N4O — CID 71150273

IUPAC1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESCOc1ccc(-n2nc(C)c3c(C#N)ccnc32)cc1
InChIInChI=1S/C15H12N4O/c1-10-14-11(9-16)7-8-17-15(14)19(18-10)12-3-5-13(20-2)6-4-12/h3-8H,1-2H3
InChIKeyBPOGSJFIVUROJG-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.61
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile

1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile (PubChem CID 71150273) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile
PubChem CID71150273
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESCOc1ccc(-n2nc(C)c3c(C#N)ccnc32)cc1
InChIInChI=1S/C15H12N4O/c1-10-14-11(9-16)7-8-17-15(14)19(18-10)12-3-5-13(20-2)6-4-12/h3-8H,1-2H3
InChIKeyBPOGSJFIVUROJG-UHFFFAOYSA-N
XLogP2.61
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile (CID 71150273) is 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile is COc1ccc(-n2nc(C)c3c(C#N)ccnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile?
The InChIKey is BPOGSJFIVUROJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-10-14-11(9-16)7-8-17-15(14)19(18-10)12-3-5-13(20-2)6-4-12/h3-8H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile?
1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-4-carbonitrile is sourced from PubChem (CID 71150273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).