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

C12H10N4 — CID 6539528

IUPAC5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C12H10N4/c13-11-10-6-9(7-14-12(10)16-15-11)8-4-2-1-3-5-8/h1-7H,(H3,13,14,15,16)
InChIKeyYJWFRUYKFYDTSQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.21
Rot. Bonds1

About 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine

5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 6539528) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID6539528
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2ncc(-c3ccccc3)cc12
InChIInChI=1S/C12H10N4/c13-11-10-6-9(7-14-12(10)16-15-11)8-4-2-1-3-5-8/h1-7H,(H3,13,14,15,16)
InChIKeyYJWFRUYKFYDTSQ-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

Rolodine
CID 5359646
Cgp 57380
CID 11644425
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
4-(3-Methylphenyl)-6-[(1-Methylpyrazol-3-Yl)amino]-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86275848
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
CID 1400
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24798741
1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine
CID 44129608
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-phenyl-
CID 10492061

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 6539528) is 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is Nc1[nH]nc2ncc(-c3ccccc3)cc12.
What is the InChIKey of 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is YJWFRUYKFYDTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-11-10-6-9(7-14-12(10)16-15-11)8-4-2-1-3-5-8/h1-7H,(H3,13,14,15,16).
What are the key properties of 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine?
5-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 5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 6539528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).