N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H22N4O5S2 — CID 71207952

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCS(=O)(=O)C4)c3n2)cc1
InChIInChI=1S/C20H22N4O5S2/c1-12(2)31(28,29)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-30(26,27)11-14/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyDQNPBWPGGOZKNH-UHFFFAOYSA-N
MW462.55 g/mol
LogP1.72
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71207952) has the molecular formula C20H22N4O5S2 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71207952
Molecular FormulaC20H22N4O5S2
Molecular Weight462.55 g/mol
Exact Mass462.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCS(=O)(=O)C4)c3n2)cc1
InChIInChI=1S/C20H22N4O5S2/c1-12(2)31(28,29)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-30(26,27)11-14/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyDQNPBWPGGOZKNH-UHFFFAOYSA-N
XLogP1.72
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide 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 N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71207952) is N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC4CCS(=O)(=O)C4)c3n2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is DQNPBWPGGOZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S2/c1-12(2)31(28,29)15-5-3-13(4-6-15)17-10-22-19-18(24-17)16(9-21-19)20(25)23-14-7-8-30(26,27)11-14/h3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71207952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).