4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine

C20H17N3O2 — CID 75201961

IUPAC4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3
InChIKeyWTTAMIBXPRNVCC-UHFFFAOYSA-N
MW331.38 g/mol
LogP5.00
Rot. Bonds3

About 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine

4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine (PubChem CID 75201961) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
PubChem CID75201961
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3
InChIKeyWTTAMIBXPRNVCC-UHFFFAOYSA-N
XLogP5.00
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine (CID 75201961) is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine is Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)cnnc1C.
What is the InChIKey of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
The InChIKey is WTTAMIBXPRNVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-10-15(25-20-17-7-9-24-18(17)6-8-21-20)4-5-16(12)19-13(2)11-22-23-14(19)3/h4-11H,1-3H3.
What are the key properties of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine?
4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine has a molecular weight of 331.38 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 75201961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).