6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C20H14N6O — CID 71598887

IUPAC6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESN#Cc1cc(-c2cc(C(N)=O)c3c(-c4ccccc4)[nH]nc3n2)ccc1N
InChIInChI=1S/C20H14N6O/c21-10-13-8-12(6-7-15(13)22)16-9-14(19(23)27)17-18(25-26-20(17)24-16)11-4-2-1-3-5-11/h1-9H,22H2,(H2,23,27)(H,24,25,26)
InChIKeyAJEVIKZWKGEOMV-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.84
Rot. Bonds3

About 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 71598887) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID71598887
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESN#Cc1cc(-c2cc(C(N)=O)c3c(-c4ccccc4)[nH]nc3n2)ccc1N
InChIInChI=1S/C20H14N6O/c21-10-13-8-12(6-7-15(13)22)16-9-14(19(23)27)17-18(25-26-20(17)24-16)11-4-2-1-3-5-11/h1-9H,22H2,(H2,23,27)(H,24,25,26)
InChIKeyAJEVIKZWKGEOMV-UHFFFAOYSA-N
XLogP2.84
TPSA134.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 71598887) is 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is N#Cc1cc(-c2cc(C(N)=O)c3c(-c4ccccc4)[nH]nc3n2)ccc1N.
What is the InChIKey of 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is AJEVIKZWKGEOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c21-10-13-8-12(6-7-15(13)22)16-9-14(19(23)27)17-18(25-26-20(17)24-16)11-4-2-1-3-5-11/h1-9H,22H2,(H2,23,27)(H,24,25,26).
What are the key properties of 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-cyanophenyl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71598887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).