piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

C20H23N5O3S — CID 71208066

IUPACpiperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCNCC4)c3n2)cc1
InChIInChI=1S/C20H23N5O3S/c1-13(2)29(27,28)15-5-3-14(4-6-15)17-12-23-19-18(24-17)16(11-22-19)20(26)25-9-7-21-8-10-25/h3-6,11-13,21H,7-10H2,1-2H3,(H,22,23)
InChIKeyDOPFDWLKRMJNOE-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.85
Rot. Bonds4

About piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (PubChem CID 71208066) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
PubChem CID71208066
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Namepiperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCNCC4)c3n2)cc1
InChIInChI=1S/C20H23N5O3S/c1-13(2)29(27,28)15-5-3-14(4-6-15)17-12-23-19-18(24-17)16(11-22-19)20(26)25-9-7-21-8-10-25/h3-6,11-13,21H,7-10H2,1-2H3,(H,22,23)
InChIKeyDOPFDWLKRMJNOE-UHFFFAOYSA-N
XLogP1.85
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone 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 piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The IUPAC name of piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (CID 71208066) is piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The canonical SMILES for piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCNCC4)c3n2)cc1.
What is the InChIKey of piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The InChIKey is DOPFDWLKRMJNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-13(2)29(27,28)15-5-3-14(4-6-15)17-12-23-19-18(24-17)16(11-22-19)20(26)25-9-7-21-8-10-25/h3-6,11-13,21H,7-10H2,1-2H3,(H,22,23).
What are the key properties of piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone has a molecular weight of 413.50 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is sourced from PubChem (CID 71208066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).