3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine

C15H9F6N3 — CID 555240

IUPAC3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C15H9F6N3/c1-8-12-10(14(16,17)18)7-11(15(19,20)21)22-13(12)24(23-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeySBMHJHSFJKIETP-UHFFFAOYSA-N
MW345.25 g/mol
LogP4.77
Rot. Bonds1

About 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 555240) has the molecular formula C15H9F6N3 and a molecular weight of 345.25 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID555240
Molecular FormulaC15H9F6N3
Molecular Weight345.25 g/mol
Exact Mass345.07
IUPAC Name3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C15H9F6N3/c1-8-12-10(14(16,17)18)7-11(15(19,20)21)22-13(12)24(23-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeySBMHJHSFJKIETP-UHFFFAOYSA-N
XLogP4.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 555240) is 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is SBMHJHSFJKIETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3/c1-8-12-10(14(16,17)18)7-11(15(19,20)21)22-13(12)24(23-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 345.25 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 555240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).