3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide

C26H28N6O3S — CID 71217009

IUPAC3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cccc(C5CNCCN5)c4)c3n2)cc1
InChIInChI=1S/C26H28N6O3S/c1-16(2)36(34,35)20-8-6-17(7-9-20)22-14-29-25-24(31-22)23(15-30-25)32-26(33)19-5-3-4-18(12-19)21-13-27-10-11-28-21/h3-9,12,14-16,21,27-28H,10-11,13H2,1-2H3,(H,29,30)(H,32,33)
InChIKeyZDOROIAXFNIOMI-UHFFFAOYSA-N
MW504.62 g/mol
LogP3.29
Rot. Bonds6

About 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide

3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide (PubChem CID 71217009) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide.

Molecular Properties

Compound Name3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
PubChem CID71217009
Molecular FormulaC26H28N6O3S
Molecular Weight504.62 g/mol
Exact Mass504.19
IUPAC Name3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cccc(C5CNCCN5)c4)c3n2)cc1
InChIInChI=1S/C26H28N6O3S/c1-16(2)36(34,35)20-8-6-17(7-9-20)22-14-29-25-24(31-22)23(15-30-25)32-26(33)19-5-3-4-18(12-19)21-13-27-10-11-28-21/h3-9,12,14-16,21,27-28H,10-11,13H2,1-2H3,(H,29,30)(H,32,33)
InChIKeyZDOROIAXFNIOMI-UHFFFAOYSA-N
XLogP3.29
TPSA128.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide 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

Tak-901
CID 16124208
2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide
CID 44199417
2,6-difluoro-3-(propylsulfonylamino)-N-[2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
CID 44231244
N-[(1S)-1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-4-methylsulfonylbenzamide
CID 52940645
4-amino-N-[1-(4-methylsulfonylphenyl)ethyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 71583050
2-thiophen-2-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid [2-(4-ethanesulfonylamino-phenyl)-ethyl]-amide
CID 24782785
N-methyl-6-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-3-pyridinecarboxamide
CID 25226483
2,6-difluoro-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide
CID 44230849
2,6-difluoro-N-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonylamino)benzamide
CID 44230852
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 44230853
2,6-difluoro-3-(propylsulfonylamino)-N-(2-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 44230854
2,6-difluoro-N-(2-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonamido)benzamide
CID 44230986

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The IUPAC name of 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide (CID 71217009) is 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide.
What is the SMILES notation for 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The canonical SMILES for 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4cccc(C5CNCCN5)c4)c3n2)cc1.
What is the InChIKey of 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
The InChIKey is ZDOROIAXFNIOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-16(2)36(34,35)20-8-6-17(7-9-20)22-14-29-25-24(31-22)23(15-30-25)32-26(33)19-5-3-4-18(12-19)21-13-27-10-11-28-21/h3-9,12,14-16,21,27-28H,10-11,13H2,1-2H3,(H,29,30)(H,32,33).
What are the key properties of 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide?
3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide has a molecular weight of 504.62 g/mol, XLogP of 3.29, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-2-yl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide is sourced from PubChem (CID 71217009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).