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

C19H18N4O — CID 86767087

IUPAC4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)cnn1C
InChIInChI=1S/C19H18N4O/c1-12-10-14(4-5-15(12)18-13(2)11-22-23(18)3)24-19-16-6-8-20-17(16)7-9-21-19/h4-11,20H,1-3H3
InChIKeyCJNHFMYHZMUVFX-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.37
Rot. Bonds3

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

4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 86767087) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine
PubChem CID86767087
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine
SMILESCc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)cnn1C
InChIInChI=1S/C19H18N4O/c1-12-10-14(4-5-15(12)18-13(2)11-22-23(18)3)24-19-16-6-8-20-17(16)7-9-21-19/h4-11,20H,1-3H3
InChIKeyCJNHFMYHZMUVFX-UHFFFAOYSA-N
XLogP4.37
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine (CID 86767087) is 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine is Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)cnn1C.
What is the InChIKey of 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is CJNHFMYHZMUVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-10-14(4-5-15(12)18-13(2)11-22-23(18)3)24-19-16-6-8-20-17(16)7-9-21-19/h4-11,20H,1-3H3.
What are the key properties of 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine?
4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 318.38 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,4-dimethylpyrazol-5-yl)-3-methylphenoxy]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 86767087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).