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

C19H15F2N5 — CID 155399952

IUPAC6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESCC(F)(F)c1cccc(-c2cnc3cnn(Cc4cccnn4)c3c2)c1
InChIInChI=1S/C19H15F2N5/c1-19(20,21)15-5-2-4-13(8-15)14-9-18-17(22-10-14)11-24-26(18)12-16-6-3-7-23-25-16/h2-11H,12H2,1H3
InChIKeyALBVDNLDRYZDLO-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.05
Rot. Bonds4

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

6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155399952) has the molecular formula C19H15F2N5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155399952
Molecular FormulaC19H15F2N5
Molecular Weight351.36 g/mol
Exact Mass351.13
IUPAC Name6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESCC(F)(F)c1cccc(-c2cnc3cnn(Cc4cccnn4)c3c2)c1
InChIInChI=1S/C19H15F2N5/c1-19(20,21)15-5-2-4-13(8-15)14-9-18-17(22-10-14)11-24-26(18)12-16-6-3-7-23-25-16/h2-11H,12H2,1H3
InChIKeyALBVDNLDRYZDLO-UHFFFAOYSA-N
XLogP4.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.05
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)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155399952) is 6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is CC(F)(F)c1cccc(-c2cnc3cnn(Cc4cccnn4)c3c2)c1.
What is the InChIKey of 6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is ALBVDNLDRYZDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5/c1-19(20,21)15-5-2-4-13(8-15)14-9-18-17(22-10-14)11-24-26(18)12-16-6-3-7-23-25-16/h2-11H,12H2,1H3.
What are the key properties of 6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
6-[3-(1,1-difluoroethyl)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 351.36 g/mol, XLogP of 4.05, 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)phenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).