4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine

C16H12F2N6 — CID 162760858

IUPAC4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCn1cc(-c2ccnc3[nH]ncc23)c(-c2ccc(C(F)F)cn2)n1
InChIInChI=1S/C16H12F2N6/c1-24-8-12(10-4-5-19-16-11(10)7-21-22-16)14(23-24)13-3-2-9(6-20-13)15(17)18/h2-8,15H,1H3,(H,19,21,22)
InChIKeyPILLJSGJAJMJBJ-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.36
Rot. Bonds3

About 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine

4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 162760858) has the molecular formula C16H12F2N6 and a molecular weight of 326.31 g/mol. Its IUPAC name is 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
PubChem CID162760858
Molecular FormulaC16H12F2N6
Molecular Weight326.31 g/mol
Exact Mass326.11
IUPAC Name4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
SMILESCn1cc(-c2ccnc3[nH]ncc23)c(-c2ccc(C(F)F)cn2)n1
InChIInChI=1S/C16H12F2N6/c1-24-8-12(10-4-5-19-16-11(10)7-21-22-16)14(23-24)13-3-2-9(6-20-13)15(17)18/h2-8,15H,1H3,(H,19,21,22)
InChIKeyPILLJSGJAJMJBJ-UHFFFAOYSA-N
XLogP3.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-methyl-3-[5-(trifluoromethoxy)-2-pyridinyl]pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162760917
6-methyl-4-[1-methyl-3-(3-methyl-4-pyridinyl)pyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760926
3-[4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]oxetan-3-ol
CID 162760935
(5R,7R)-2-(5-fluoro-2-pyridinyl)-5,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 169305903
4-(2-methyl-3-pyridinyl)-1H-pyrazolo[3,4-b]pyridine
CID 174693158
4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 162761011
(7R)-2-(5-fluoro-2-pyridinyl)-6,6,7-trimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 169305964
(6R,7R)-2-(5-fluoro-2-pyridinyl)-6,7-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 169306005
4-[(6S)-6-(difluoromethoxymethyl)-6-fluoro-2-(5-fluoro-2-pyridinyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 175448891
4,4-dideuterio-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-7H-pyrazolo[5,1-c][1,4]oxazine
CID 169305935
4-[3-chloro-4-(2,4-dimethylpentoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine
CID 145286186
2-[[4-[3-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162761018

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine (CID 162760858) is 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine is Cn1cc(-c2ccnc3[nH]ncc23)c(-c2ccc(C(F)F)cn2)n1.
What is the InChIKey of 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine?
The InChIKey is PILLJSGJAJMJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N6/c1-24-8-12(10-4-5-19-16-11(10)7-21-22-16)14(23-24)13-3-2-9(6-20-13)15(17)18/h2-8,15H,1H3,(H,19,21,22).
What are the key properties of 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine?
4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 326.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(difluoromethyl)-2-pyridinyl]-1-methylpyrazol-4-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162760858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).