6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine

C19H14F3N5 — CID 155388749

IUPAC6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESCC(F)(F)c1cc(-c2cnc3cnn(Cc4cccnn4)c3c2)ccc1F
InChIInChI=1S/C19H14F3N5/c1-19(21,22)15-7-12(4-5-16(15)20)13-8-18-17(23-9-13)10-25-27(18)11-14-3-2-6-24-26-14/h2-10H,11H2,1H3
InChIKeyZIKRGDMYYZJUIN-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.19
Rot. Bonds4

About 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine

6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155388749) has the molecular formula C19H14F3N5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155388749
Molecular FormulaC19H14F3N5
Molecular Weight369.35 g/mol
Exact Mass369.12
IUPAC Name6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESCC(F)(F)c1cc(-c2cnc3cnn(Cc4cccnn4)c3c2)ccc1F
InChIInChI=1S/C19H14F3N5/c1-19(21,22)15-7-12(4-5-16(15)20)13-8-18-17(23-9-13)10-25-27(18)11-14-3-2-6-24-26-14/h2-10H,11H2,1H3
InChIKeyZIKRGDMYYZJUIN-UHFFFAOYSA-N
XLogP4.19
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155388749) is 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is CC(F)(F)c1cc(-c2cnc3cnn(Cc4cccnn4)c3c2)ccc1F.
What is the InChIKey of 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is ZIKRGDMYYZJUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5/c1-19(21,22)15-7-12(4-5-16(15)20)13-8-18-17(23-9-13)10-25-27(18)11-14-3-2-6-24-26-14/h2-10H,11H2,1H3.
What are the key properties of 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 369.35 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).