4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine

C15H11F4N3 — CID 17025735

IUPAC4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C15H11F4N3/c1-8-12-10(13(16)17)7-11(14(18)19)20-15(12)22(21-8)9-5-3-2-4-6-9/h2-7,13-14H,1H3
InChIKeyIGENHEPLLYCWTO-UHFFFAOYSA-N
MW309.27 g/mol
LogP4.60
Rot. Bonds3

About 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine

4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine (PubChem CID 17025735) has the molecular formula C15H11F4N3 and a molecular weight of 309.27 g/mol. Its IUPAC name is 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
PubChem CID17025735
Molecular FormulaC15H11F4N3
Molecular Weight309.27 g/mol
Exact Mass309.09
IUPAC Name4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(C(F)F)cc(C(F)F)c12
InChIInChI=1S/C15H11F4N3/c1-8-12-10(13(16)17)7-11(14(18)19)20-15(12)22(21-8)9-5-3-2-4-6-9/h2-7,13-14H,1H3
InChIKeyIGENHEPLLYCWTO-UHFFFAOYSA-N
XLogP4.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine (CID 17025735) is 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2)c2nc(C(F)F)cc(C(F)F)c12.
What is the InChIKey of 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is IGENHEPLLYCWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3/c1-8-12-10(13(16)17)7-11(14(18)19)20-15(12)22(21-8)9-5-3-2-4-6-9/h2-7,13-14H,1H3.
What are the key properties of 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine?
4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 309.27 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(difluoromethyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17025735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).