5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

C22H19F2N7 — CID 147473475

IUPAC5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(CCc5ccn(C)n5)cc4F)cc23)cn1
InChIInChI=1S/C22H19F2N7/c1-30-6-5-15(29-30)4-3-13-7-17(23)21(18(24)8-13)19-9-16-20(11-25-19)27-28-22(16)14-10-26-31(2)12-14/h5-12H,3-4H2,1-2H3,(H,27,28)
InChIKeyFCFQVNCIOQANDM-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.82
Rot. Bonds5

About 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine

5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 147473475) has the molecular formula C22H19F2N7 and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID147473475
Molecular FormulaC22H19F2N7
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESCn1cc(-c2n[nH]c3cnc(-c4c(F)cc(CCc5ccn(C)n5)cc4F)cc23)cn1
InChIInChI=1S/C22H19F2N7/c1-30-6-5-15(29-30)4-3-13-7-17(23)21(18(24)8-13)19-9-16-20(11-25-19)27-28-22(16)14-10-26-31(2)12-14/h5-12H,3-4H2,1-2H3,(H,27,28)
InChIKeyFCFQVNCIOQANDM-UHFFFAOYSA-N
XLogP3.82
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
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
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
3-[1-(azetidin-3-yl)pyrazol-4-yl]-5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridine
CID 157132062
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
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
[3,5-difluoro-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl] morpholine-4-carboxylate
CID 134327781
3-(2-fluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71254121
1-[4-[5-[2,6-difluoro-4-(methylaminomethyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]pyrazol-1-yl]ethanol
CID 175820235
4-[3-fluoro-5-methyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]phenyl]morpholine
CID 175820266
1-[4-[5-(2,6-difluoro-4-propylphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]phenyl]piperidin-4-ol
CID 158943505

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 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) is 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is Cn1cc(-c2n[nH]c3cnc(-c4c(F)cc(CCc5ccn(C)n5)cc4F)cc23)cn1.
What is the InChIKey of 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is FCFQVNCIOQANDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7/c1-30-6-5-15(29-30)4-3-13-7-17(23)21(18(24)8-13)19-9-16-20(11-25-19)27-28-22(16)14-10-26-31(2)12-14/h5-12H,3-4H2,1-2H3,(H,27,28).
What are the key properties of 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine?
5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 419.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-[2-(1-methylpyrazol-3-yl)ethyl]phenyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 147473475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).