3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide

C19H15F3N6O2 — CID 166023637

IUPAC3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide
SMILESO=C(Nc1ccnnc1)c1nccnc1N1CC(Oc2cc(F)cc(C(F)F)c2)C1
InChIInChI=1S/C19H15F3N6O2/c20-12-5-11(17(21)22)6-14(7-12)30-15-9-28(10-15)18-16(23-3-4-24-18)19(29)27-13-1-2-25-26-8-13/h1-8,15,17H,9-10H2,(H,25,27,29)
InChIKeyYAWBRHQCJQHVCI-UHFFFAOYSA-N
MW416.36 g/mol
LogP2.86
Rot. Bonds6

About 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide

3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide (PubChem CID 166023637) has the molecular formula C19H15F3N6O2 and a molecular weight of 416.36 g/mol. Its IUPAC name is 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide
PubChem CID166023637
Molecular FormulaC19H15F3N6O2
Molecular Weight416.36 g/mol
Exact Mass416.12
IUPAC Name3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide
SMILESO=C(Nc1ccnnc1)c1nccnc1N1CC(Oc2cc(F)cc(C(F)F)c2)C1
InChIInChI=1S/C19H15F3N6O2/c20-12-5-11(17(21)22)6-14(7-12)30-15-9-28(10-15)18-16(23-3-4-24-18)19(29)27-13-1-2-25-26-8-13/h1-8,15,17H,9-10H2,(H,25,27,29)
InChIKeyYAWBRHQCJQHVCI-UHFFFAOYSA-N
XLogP2.86
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide (CID 166023637) is 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide is O=C(Nc1ccnnc1)c1nccnc1N1CC(Oc2cc(F)cc(C(F)F)c2)C1.
What is the InChIKey of 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide?
The InChIKey is YAWBRHQCJQHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2/c20-12-5-11(17(21)22)6-14(7-12)30-15-9-28(10-15)18-16(23-3-4-24-18)19(29)27-13-1-2-25-26-8-13/h1-8,15,17H,9-10H2,(H,25,27,29).
What are the key properties of 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide?
3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 166023637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).