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

C25H22ClF2N5 — CID 160615693

IUPAC6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCc1[nH]nc2nc(-c3cc(F)ccc3F)c(C#N)c(-c3ccc(N4CCCCC4)cc3)c12.Cl
InChIInChI=1S/C25H21F2N5.ClH/c1-15-22-23(16-5-8-18(9-6-16)32-11-3-2-4-12-32)20(14-28)24(29-25(22)31-30-15)19-13-17(26)7-10-21(19)27;/h5-10,13H,2-4,11-12H2,1H3,(H,29,30,31);1H
InChIKeyNAKCKUKJMFXOFU-UHFFFAOYSA-N
MW465.94 g/mol
LogP6.16
Rot. Bonds3

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

6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride (PubChem CID 160615693) has the molecular formula C25H22ClF2N5 and a molecular weight of 465.94 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
PubChem CID160615693
Molecular FormulaC25H22ClF2N5
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC Name6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
SMILESCc1[nH]nc2nc(-c3cc(F)ccc3F)c(C#N)c(-c3ccc(N4CCCCC4)cc3)c12.Cl
InChIInChI=1S/C25H21F2N5.ClH/c1-15-22-23(16-5-8-18(9-6-16)32-11-3-2-4-12-32)20(14-28)24(29-25(22)31-30-15)19-13-17(26)7-10-21(19)27;/h5-10,13H,2-4,11-12H2,1H3,(H,29,30,31);1H
InChIKeyNAKCKUKJMFXOFU-UHFFFAOYSA-N
XLogP6.16
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoro-4-nitrophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160983720
6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305514
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
4-methyl-3-(4-piperidin-1-ylphenyl)-6-(2,3,6-trifluorophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160808618
3-(furan-2-yl)-4-(4-piperidin-1-ylphenyl)-6-(2,3,6-trifluorophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 159104184
6-(2-fluoro-4-hydroxyphenyl)-3-(4-nitrophenyl)-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 158096616
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
6-(2-fluoro-4-hydroxyphenyl)-3-(4-phenylphenyl)-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162312218
[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
3-methyl-4,6-diphenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 132530624
6-(2-fluoro-4-hydroxyphenyl)-3-methyl-4-[(2S)-2-(piperidine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 159994870

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The IUPAC name of 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride (CID 160615693) is 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The canonical SMILES for 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride is Cc1[nH]nc2nc(-c3cc(F)ccc3F)c(C#N)c(-c3ccc(N4CCCCC4)cc3)c12.Cl.
What is the InChIKey of 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
The InChIKey is NAKCKUKJMFXOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5.ClH/c1-15-22-23(16-5-8-18(9-6-16)32-11-3-2-4-12-32)20(14-28)24(29-25(22)31-30-15)19-13-17(26)7-10-21(19)27;/h5-10,13H,2-4,11-12H2,1H3,(H,29,30,31);1H.
What are the key properties of 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride?
6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride has a molecular weight of 465.94 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-3-methyl-4-(4-piperidin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride is sourced from PubChem (CID 160615693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).