3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

C15H12F3N3 — CID 882736

IUPAC3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)F)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H12F3N3/c1-9-8-12(15(16,17)18)13-10(2)20-21(14(13)19-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyOLENTMMSLRYFSR-UHFFFAOYSA-N
MW291.28 g/mol
LogP4.06
Rot. Bonds1

About 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine

3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 882736) has the molecular formula C15H12F3N3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID882736
Molecular FormulaC15H12F3N3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(C(F)(F)F)c2c(C)nn(-c3ccccc3)c2n1
InChIInChI=1S/C15H12F3N3/c1-9-8-12(15(16,17)18)13-10(2)20-21(14(13)19-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyOLENTMMSLRYFSR-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 882736) is 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is Cc1cc(C(F)(F)F)c2c(C)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is OLENTMMSLRYFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3/c1-9-8-12(15(16,17)18)13-10(2)20-21(14(13)19-9)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 291.28 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-phenyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 882736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).