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

C18H12F3N5O — CID 155389330

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cccnn4)c3c2)cc1OC(F)F
InChIInChI=1S/C18H12F3N5O/c19-14-4-3-11(7-17(14)27-18(20)21)12-6-16-15(22-8-12)9-24-26(16)10-13-2-1-5-23-25-13/h1-9,18H,10H2
InChIKeyIYXWENXBZGNNSI-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.68
Rot. Bonds5

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

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155389330) has the molecular formula C18H12F3N5O and a molecular weight of 371.32 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155389330
Molecular FormulaC18H12F3N5O
Molecular Weight371.32 g/mol
Exact Mass371.10
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cccnn4)c3c2)cc1OC(F)F
InChIInChI=1S/C18H12F3N5O/c19-14-4-3-11(7-17(14)27-18(20)21)12-6-16-15(22-8-12)9-24-26(16)10-13-2-1-5-23-25-13/h1-9,18H,10H2
InChIKeyIYXWENXBZGNNSI-UHFFFAOYSA-N
XLogP3.68
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155389330) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4cccnn4)c3c2)cc1OC(F)F.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is IYXWENXBZGNNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O/c19-14-4-3-11(7-17(14)27-18(20)21)12-6-16-15(22-8-12)9-24-26(16)10-13-2-1-5-23-25-13/h1-9,18H,10H2.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 371.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(pyridazin-3-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).