4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine

C20H18N4O — CID 86767093

IUPAC4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C20H18N4O/c1-12-10-15(25-20-17-6-8-21-18(17)7-9-22-20)4-5-16(12)19-13(2)11-23-24-14(19)3/h4-11,21H,1-3H3
InChIKeyMALHABMOQNARDN-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.74
Rot. Bonds3

About 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine

4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 86767093) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine
PubChem CID86767093
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)cnnc1C
InChIInChI=1S/C20H18N4O/c1-12-10-15(25-20-17-6-8-21-18(17)7-9-22-20)4-5-16(12)19-13(2)11-23-24-14(19)3/h4-11,21H,1-3H3
InChIKeyMALHABMOQNARDN-UHFFFAOYSA-N
XLogP4.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine (CID 86767093) is 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine is Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)cnnc1C.
What is the InChIKey of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is MALHABMOQNARDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12-10-15(25-20-17-6-8-21-18(17)7-9-22-20)4-5-16(12)19-13(2)11-23-24-14(19)3/h4-11,21H,1-3H3.
What are the key properties of 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine?
4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 330.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 86767093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).