4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

C12H10N4 — CID 2764173

IUPAC4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nccc(-c3ccccc3)c12
InChIInChI=1S/C12H10N4/c13-11-10-9(8-4-2-1-3-5-8)6-7-14-12(10)16-15-11/h1-7H,(H3,13,14,15,16)
InChIKeyGFHKPJCWBZMRSN-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.21
Rot. Bonds1

About 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 2764173) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID2764173
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nccc(-c3ccccc3)c12
InChIInChI=1S/C12H10N4/c13-11-10-9(8-4-2-1-3-5-8)6-7-14-12(10)16-15-11/h1-7H,(H3,13,14,15,16)
InChIKeyGFHKPJCWBZMRSN-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 2764173) is 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is Nc1[nH]nc2nccc(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is GFHKPJCWBZMRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-11-10-9(8-4-2-1-3-5-8)6-7-14-12(10)16-15-11/h1-7H,(H3,13,14,15,16).
What are the key properties of 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 210.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 2764173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).