3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

C12H10N4O — CID 135960769

IUPAC3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESNc1[nH]nc2[nH]c(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C12H10N4O/c13-11-10-9(17)6-8(14-12(10)16-15-11)7-4-2-1-3-5-7/h1-6H,(H4,13,14,15,16,17)
InChIKeyLYEMJHJEVMDTRB-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.50
Rot. Bonds1

About 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one

3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (PubChem CID 135960769) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.

Molecular Properties

Compound Name3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
PubChem CID135960769
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
SMILESNc1[nH]nc2[nH]c(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C12H10N4O/c13-11-10-9(17)6-8(14-12(10)16-15-11)7-4-2-1-3-5-7/h1-6H,(H4,13,14,15,16,17)
InChIKeyLYEMJHJEVMDTRB-UHFFFAOYSA-N
XLogP1.50
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The IUPAC name of 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one (CID 135960769) is 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one.
What is the SMILES notation for 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The canonical SMILES for 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is Nc1[nH]nc2[nH]c(-c3ccccc3)cc(=O)c12.
What is the InChIKey of 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
The InChIKey is LYEMJHJEVMDTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-11-10-9(17)6-8(14-12(10)16-15-11)7-4-2-1-3-5-7/h1-6H,(H4,13,14,15,16,17).
What are the key properties of 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one?
3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one has a molecular weight of 226.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenyl-2,7-dihydropyrazolo[3,4-b]pyridin-4-one is sourced from PubChem (CID 135960769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).