6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride

C24H23ClFN7 — CID 162305514

IUPAC6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCc1[nH]nc2nc(-c3ccc(N)cc3F)c(C#N)c(-c3ccc(N4CCNCC4)cc3)c12.Cl
InChIInChI=1S/C24H22FN7.ClH/c1-14-21-22(15-2-5-17(6-3-15)32-10-8-28-9-11-32)19(13-26)23(29-24(21)31-30-14)18-7-4-16(27)12-20(18)25;/h2-7,12,28H,8-11,27H2,1H3,(H,29,30,31);1H
InChIKeyXZZPONVDDZOCRU-UHFFFAOYSA-N
MW463.95 g/mol
LogP4.02
Rot. Bonds3

About 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride

6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride (PubChem CID 162305514) has the molecular formula C24H23ClFN7 and a molecular weight of 463.95 g/mol. Its IUPAC name is 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
PubChem CID162305514
Molecular FormulaC24H23ClFN7
Molecular Weight463.95 g/mol
Exact Mass463.17
IUPAC Name6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCc1[nH]nc2nc(-c3ccc(N)cc3F)c(C#N)c(-c3ccc(N4CCNCC4)cc3)c12.Cl
InChIInChI=1S/C24H22FN7.ClH/c1-14-21-22(15-2-5-17(6-3-15)32-10-8-28-9-11-32)19(13-26)23(29-24(21)31-30-14)18-7-4-16(27)12-20(18)25;/h2-7,12,28H,8-11,27H2,1H3,(H,29,30,31);1H
InChIKeyXZZPONVDDZOCRU-UHFFFAOYSA-N
XLogP4.02
TPSA106.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.95
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160622241
6-(4-hydroxy-2-methylphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305633
6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160615693
6-(2-fluoro-4-nitrophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160983720
6-(2-fluoro-4-hydroxyphenyl)-3-(4-phenylphenyl)-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162312218
6-(2-fluoro-4-hydroxyphenyl)-3-(4-nitrophenyl)-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 158096616
4-methyl-3-(4-piperidin-1-ylphenyl)-6-(2,3,6-trifluorophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160808618
4-[5-(3-aminopyrrolidin-1-yl)furan-2-yl]-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 137062033
[4-[5-cyano-4-(4-piperidin-1-ylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-b]pyridin-6-yl]-3-fluorophenyl] 2,2-dimethylpropanoate;hydrochloride
CID 159805149
6-(2H-benzotriazol-5-yl)-4-(4-piperazin-1-ylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162323656
3-(furan-2-yl)-6-(2-methylfuran-3-yl)-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160922369
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624

Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The IUPAC name of 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride (CID 162305514) is 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The canonical SMILES for 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride is Cc1[nH]nc2nc(-c3ccc(N)cc3F)c(C#N)c(-c3ccc(N4CCNCC4)cc3)c12.Cl.
What is the InChIKey of 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The InChIKey is XZZPONVDDZOCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7.ClH/c1-14-21-22(15-2-5-17(6-3-15)32-10-8-28-9-11-32)19(13-26)23(29-24(21)31-30-14)18-7-4-16(27)12-20(18)25;/h2-7,12,28H,8-11,27H2,1H3,(H,29,30,31);1H.
What are the key properties of 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride has a molecular weight of 463.95 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 162305514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).