3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine

C21H20F2N6 — CID 157132062

IUPAC3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCCCc1cc(F)c(-c2cc3c(-c4cnn(C5CNC5)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C21H20F2N6/c1-2-3-12-4-16(22)20(17(23)5-12)18-6-15-19(10-25-18)27-28-21(15)13-7-26-29(11-13)14-8-24-9-14/h4-7,10-11,14,24H,2-3,8-9H2,1H3,(H,27,28)
InChIKeyAJEOEUXAOFDIHO-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.86
Rot. Bonds5

About 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine

3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 157132062) has the molecular formula C21H20F2N6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID157132062
Molecular FormulaC21H20F2N6
Molecular Weight394.43 g/mol
Exact Mass394.17
IUPAC Name3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCCCc1cc(F)c(-c2cc3c(-c4cnn(C5CNC5)c4)n[nH]c3cn2)c(F)c1
InChIInChI=1S/C21H20F2N6/c1-2-3-12-4-16(22)20(17(23)5-12)18-6-15-19(10-25-18)27-28-21(15)13-7-26-29(11-13)14-8-24-9-14/h4-7,10-11,14,24H,2-3,8-9H2,1H3,(H,27,28)
InChIKeyAJEOEUXAOFDIHO-UHFFFAOYSA-N
XLogP3.86
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-N-methylpropan-1-amine
CID 149353664
1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol
CID 158943505
5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 147473475
(1S)-1-[4-[3-(1-cyclopropylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-fluoro-5-methylphenyl]-N-methylethanamine
CID 154584148
4-[[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-1-methylpyrazol-3-amine
CID 175348089
1-[4-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]ethanol
CID 175820235
N-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1-methylpyrazole-4-carboxamide
CID 153167112
4-[3-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]propyl]-1,3-oxazole
CID 159429824
3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine
CID 167319699
N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N,1-dimethylimidazol-4-amine
CID 175348008
N-[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 134327875
N-[[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]methyl]-N-methyl-1,3-oxazol-4-amine
CID 175348011

Frequently Asked Questions

What is the IUPAC name of 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine (CID 157132062) is 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine is CCCc1cc(F)c(-c2cc3c(-c4cnn(C5CNC5)c4)n[nH]c3cn2)c(F)c1.
What is the InChIKey of 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is AJEOEUXAOFDIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6/c1-2-3-12-4-16(22)20(17(23)5-12)18-6-15-19(10-25-18)27-28-21(15)13-7-26-29(11-13)14-8-24-9-14/h4-7,10-11,14,24H,2-3,8-9H2,1H3,(H,27,28).
What are the key properties of 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine?
3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 394.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 157132062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).