4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine

C17H12N6O — CID 143241962

IUPAC4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc(-c3ccncc3)cc(-c3cccc(N=O)c3)c12
InChIInChI=1S/C17H12N6O/c18-16-15-13(11-2-1-3-12(8-11)23-24)9-14(20-17(15)22-21-16)10-4-6-19-7-5-10/h1-9H,(H3,18,20,21,22)
InChIKeyNQWRUGWTXOBEMU-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.67
Rot. Bonds3

About 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine

4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 143241962) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID143241962
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Name4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc(-c3ccncc3)cc(-c3cccc(N=O)c3)c12
InChIInChI=1S/C17H12N6O/c18-16-15-13(11-2-1-3-12(8-11)23-24)9-14(20-17(15)22-21-16)10-4-6-19-7-5-10/h1-9H,(H3,18,20,21,22)
InChIKeyNQWRUGWTXOBEMU-UHFFFAOYSA-N
XLogP3.67
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 143241962) is 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine is Nc1[nH]nc2nc(-c3ccncc3)cc(-c3cccc(N=O)c3)c12.
What is the InChIKey of 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is NQWRUGWTXOBEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c18-16-15-13(11-2-1-3-12(8-11)23-24)9-14(20-17(15)22-21-16)10-4-6-19-7-5-10/h1-9H,(H3,18,20,21,22).
What are the key properties of 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?
4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 316.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrosophenyl)-6-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 143241962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).