3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C18H16N4 — CID 166629137

IUPAC3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)cc1
InChIInChI=1S/C18H16N4/c1-12-3-5-13(6-4-12)17-10-20-18-16(17)7-14(8-19-18)15-9-21-22(2)11-15/h3-11H,1-2H3,(H,19,20)
InChIKeyZFGFTJHNECIGTQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.94
Rot. Bonds2

About 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166629137) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID166629137
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)cc1
InChIInChI=1S/C18H16N4/c1-12-3-5-13(6-4-12)17-10-20-18-16(17)7-14(8-19-18)15-9-21-22(2)11-15/h3-11H,1-2H3,(H,19,20)
InChIKeyZFGFTJHNECIGTQ-UHFFFAOYSA-N
XLogP3.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 166629137) is 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1ccc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZFGFTJHNECIGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-12-3-5-13(6-4-12)17-10-20-18-16(17)7-14(8-19-18)15-9-21-22(2)11-15/h3-11H,1-2H3,(H,19,20).
What are the key properties of 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 288.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166629137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).