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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Related Compounds

6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 141462278
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 82596565
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
2-amino-1-hydroxy-3-(4-methoxyphenyl)indole-5,6-dicarbonitrile
CID 45490315
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
7-amino-2-methoxy-4-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 10683923
3-amino-1-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 23823826
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876

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).