4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine

C15H12F3N3 — CID 29090615

IUPAC4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)F)c2c(C)nn(-c3ccccc3F)c2n1
InChIInChI=1S/C15H12F3N3/c1-8-7-10(14(17)18)13-9(2)20-21(15(13)19-8)12-6-4-3-5-11(12)16/h3-7,14H,1-2H3
InChIKeyOGCNQOZVIYORGC-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.11
Rot. Bonds2

About 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine

4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine (PubChem CID 29090615) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
PubChem CID29090615
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)F)c2c(C)nn(-c3ccccc3F)c2n1
InChIInChI=1S/C15H12F3N3/c1-8-7-10(14(17)18)13-9(2)20-21(15(13)19-8)12-6-4-3-5-11(12)16/h3-7,14H,1-2H3
InChIKeyOGCNQOZVIYORGC-UHFFFAOYSA-N
XLogP4.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29096043
4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
CID 29090216
1-butyl-4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 19589925
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19497489
methyl 5-chloro-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 25247734
4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
CID 17025751
N-(3,5-dimethylphenyl)-1-(2-fluorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110435041
1-(2-fluorophenyl)-3-methyl-4-pyrazol-1-ylpyrazolo[5,4-d]pyrimidine
CID 110435881
2-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79218757
4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090055
5-chloro-4-(chloromethyl)-1-(2-fluorophenyl)-3-methylpyrazole
CID 43156592
1-(2-fluorophenyl)-3-methyl-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110432093

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine (CID 29090615) is 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine is Cc1cc(C(F)F)c2c(C)nn(-c3ccccc3F)c2n1.
What is the InChIKey of 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine?
The InChIKey is OGCNQOZVIYORGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-8-7-10(14(17)18)13-9(2)20-21(15(13)19-8)12-6-4-3-5-11(12)16/h3-7,14H,1-2H3.
What are the key properties of 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine?
4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine has a molecular weight of 291.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 29090615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).