6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C18H14N6 — CID 86287745

IUPAC6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCn1ccc(Nc2cc(-c3ccccc3)c3c(C#N)c[nH]c3n2)n1
InChIInChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)
InChIKeyXXZAJGJUAVDOEK-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.58
Rot. Bonds3

About 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 86287745) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID86287745
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESCn1ccc(Nc2cc(-c3ccccc3)c3c(C#N)c[nH]c3n2)n1
InChIInChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)
InChIKeyXXZAJGJUAVDOEK-UHFFFAOYSA-N
XLogP3.58
TPSA82.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile 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 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 86287745) is 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is Cn1ccc(Nc2cc(-c3ccccc3)c3c(C#N)c[nH]c3n2)n1.
What is the InChIKey of 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is XXZAJGJUAVDOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23).
What are the key properties of 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 314.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-3-yl)amino]-4-phenyl-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 86287745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).