3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

C17H16N6O — CID 45270204

IUPAC3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc2n[nH]c(N)c2c1-c1ccccc1
InChIInChI=1S/C17H16N6O/c18-10-12-13(11-4-2-1-3-5-11)14-15(19)21-22-16(14)20-17(12)23-6-8-24-9-7-23/h1-5H,6-9H2,(H3,19,20,21,22)
InChIKeyJIVQOCIDPIWGFN-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.92
Rot. Bonds2

About 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (PubChem CID 45270204) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
PubChem CID45270204
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N2CCOCC2)nc2n[nH]c(N)c2c1-c1ccccc1
InChIInChI=1S/C17H16N6O/c18-10-12-13(11-4-2-1-3-5-11)14-15(19)21-22-16(14)20-17(12)23-6-8-24-9-7-23/h1-5H,6-9H2,(H3,19,20,21,22)
InChIKeyJIVQOCIDPIWGFN-UHFFFAOYSA-N
XLogP1.92
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The IUPAC name of 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile (CID 45270204) is 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is N#Cc1c(N2CCOCC2)nc2n[nH]c(N)c2c1-c1ccccc1.
What is the InChIKey of 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
The InChIKey is JIVQOCIDPIWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c18-10-12-13(11-4-2-1-3-5-11)14-15(19)21-22-16(14)20-17(12)23-6-8-24-9-7-23/h1-5H,6-9H2,(H3,19,20,21,22).
What are the key properties of 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile?
3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile has a molecular weight of 320.36 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 45270204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).