3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile

C19H15N5 — CID 166635544

IUPAC3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
SMILESCn1cc(-c2cnc3c(c2)c(-c2cccc(C#N)c2)cn3C)cn1
InChIInChI=1S/C19H15N5/c1-23-12-18(14-5-3-4-13(6-14)8-20)17-7-15(9-21-19(17)23)16-10-22-24(2)11-16/h3-7,9-12H,1-2H3
InChIKeyJGUODWZGVLZCDC-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.51
Rot. Bonds2

About 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile

3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile (PubChem CID 166635544) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
PubChem CID166635544
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile
SMILESCn1cc(-c2cnc3c(c2)c(-c2cccc(C#N)c2)cn3C)cn1
InChIInChI=1S/C19H15N5/c1-23-12-18(14-5-3-4-13(6-14)8-20)17-7-15(9-21-19(17)23)16-10-22-24(2)11-16/h3-7,9-12H,1-2H3
InChIKeyJGUODWZGVLZCDC-UHFFFAOYSA-N
XLogP3.51
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-Methylphenyl)-6-[(1-Methylpyrazol-3-Yl)amino]-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86275848
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
N,N-dimethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]aniline
CID 10040667
3-(1-Pyridin-2-yl-1H-pyrazol-4-yl)-benzonitrile
CID 10308060
3-[1-(2,5-Difluorobenzyl)-1h-Pyrazol-4-Yl]-5-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Pyrrolo[2,3-B]pyridine
CID 71604335
(3r)-1-{3-[5-(4-Ethylphenyl)-1-Methyl-1h-Pyrazol-4-Yl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Yl}-N,N-Dimethylpyrrolidin-3-Amine
CID 90654177
2-(Cyanomethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 900932
3,6-Diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4451672
7-methyl-2-(2-phenylethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 664061

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile?
The IUPAC name of 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile (CID 166635544) is 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile.
What is the SMILES notation for 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile?
The canonical SMILES for 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile is Cn1cc(-c2cnc3c(c2)c(-c2cccc(C#N)c2)cn3C)cn1.
What is the InChIKey of 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile?
The InChIKey is JGUODWZGVLZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-23-12-18(14-5-3-4-13(6-14)8-20)17-7-15(9-21-19(17)23)16-10-22-24(2)11-16/h3-7,9-12H,1-2H3.
What are the key properties of 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile?
3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile has a molecular weight of 313.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 166635544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).