4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one

C19H14FN3O3 — CID 75201899

IUPAC4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F
InChIInChI=1S/C19H14FN3O3/c1-10-17(11(2)22-23-18(10)24)13-4-3-12(9-15(13)20)26-19-14-6-8-25-16(14)5-7-21-19/h3-9H,1-2H3,(H,23,24)
InChIKeyYODCDZCSGNUYOR-UHFFFAOYSA-N
MW351.34 g/mol
LogP4.13
Rot. Bonds3

About 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one

4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one (PubChem CID 75201899) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one
PubChem CID75201899
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F
InChIInChI=1S/C19H14FN3O3/c1-10-17(11(2)22-23-18(10)24)13-4-3-12(9-15(13)20)26-19-14-6-8-25-16(14)5-7-21-19/h3-9H,1-2H3,(H,23,24)
InChIKeyYODCDZCSGNUYOR-UHFFFAOYSA-N
XLogP4.13
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one (CID 75201899) is 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F.
What is the InChIKey of 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is YODCDZCSGNUYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c1-10-17(11(2)22-23-18(10)24)13-4-3-12(9-15(13)20)26-19-14-6-8-25-16(14)5-7-21-19/h3-9H,1-2H3,(H,23,24).
What are the key properties of 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one?
4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 351.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 75201899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).