3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile

C19H16N6O2S — CID 141466978

IUPAC3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccc(S(=O)(=O)CCC#N)cc4)c3n2)cn1
InChIInChI=1S/C19H16N6O2S/c1-25-12-14(9-23-25)17-11-22-19-18(24-17)16(10-21-19)13-3-5-15(6-4-13)28(26,27)8-2-7-20/h3-6,9-12H,2,8H2,1H3,(H,21,22)
InChIKeyLNFNQUOTBAJLJY-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.71
Rot. Bonds5

About 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile

3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile (PubChem CID 141466978) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile.

Molecular Properties

Compound Name3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile
PubChem CID141466978
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccc(S(=O)(=O)CCC#N)cc4)c3n2)cn1
InChIInChI=1S/C19H16N6O2S/c1-25-12-14(9-23-25)17-11-22-19-18(24-17)16(10-21-19)13-3-5-15(6-4-13)28(26,27)8-2-7-20/h3-6,9-12H,2,8H2,1H3,(H,21,22)
InChIKeyLNFNQUOTBAJLJY-UHFFFAOYSA-N
XLogP2.71
TPSA117.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile 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

2-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]anilino]acetonitrile
CID 141466979
2-[4-(4-methylpiperazin-1-yl)phenyl]-7-[4-(1-methylpyrazol-4-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazine
CID 146274382
1-[2-amino-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-4-yl]-1-(2-fluorophenyl)propan-1-ol
CID 67209509
molecular hydrogen;5-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
CID 157317773
4-[2-(4-carbamoylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
CID 58754724
7-(6-methoxy-3-pyridinyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 56591935
N-[(2R)-1-(3-cyano-3-methylazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438620
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125189
4-[1-(2-aminoethoxy)-1-(2-fluorophenyl)ethyl]-6-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrimidin-2-amine
CID 53259658
7-(1H-inden-5-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 157493677
7-(4-methylthiophen-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 66764068
3-(4-fluorophenyl)sulfonylpropanenitrile
CID 4739600

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile?
The IUPAC name of 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile (CID 141466978) is 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile.
What is the SMILES notation for 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile?
The canonical SMILES for 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile is Cn1cc(-c2cnc3[nH]cc(-c4ccc(S(=O)(=O)CCC#N)cc4)c3n2)cn1.
What is the InChIKey of 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile?
The InChIKey is LNFNQUOTBAJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c1-25-12-14(9-23-25)17-11-22-19-18(24-17)16(10-21-19)13-3-5-15(6-4-13)28(26,27)8-2-7-20/h3-6,9-12H,2,8H2,1H3,(H,21,22).
What are the key properties of 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile?
3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile has a molecular weight of 392.44 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]phenyl]sulfonylpropanenitrile is sourced from PubChem (CID 141466978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).