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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Related Compounds

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Cgp 57380
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FR-180204
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1H-pyrazolo[3,4-b]quinolin-3-amine
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4-(3-Methylphenyl)-6-[(1-Methylpyrazol-3-Yl)amino]-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86275848
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
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CID 10537176

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).