3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C14H11N5O — CID 51348534

IUPAC3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3n[nH]c(N)c3cc2C#N)cc1
InChIInChI=1S/C14H11N5O/c1-20-10-4-2-8(3-5-10)12-9(7-15)6-11-13(16)18-19-14(11)17-12/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyLITZLYJBUCOCQV-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.09
Rot. Bonds2

About 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 51348534) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID51348534
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESCOc1ccc(-c2nc3n[nH]c(N)c3cc2C#N)cc1
InChIInChI=1S/C14H11N5O/c1-20-10-4-2-8(3-5-10)12-9(7-15)6-11-13(16)18-19-14(11)17-12/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyLITZLYJBUCOCQV-UHFFFAOYSA-N
XLogP2.09
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 51348534) is 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is COc1ccc(-c2nc3n[nH]c(N)c3cc2C#N)cc1.
What is the InChIKey of 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is LITZLYJBUCOCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-20-10-4-2-8(3-5-10)12-9(7-15)6-11-13(16)18-19-14(11)17-12/h2-6H,1H3,(H3,16,17,18,19).
What are the key properties of 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 51348534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).