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

C24H24N4O3S — CID 71477777

IUPACN-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c(C)c1
InChIInChI=1S/C24H24N4O3S/c1-14(2)32(30,31)18-8-6-17(7-9-18)21-13-26-23-22(27-21)19(12-25-23)24(29)28-20-10-5-15(3)11-16(20)4/h5-14H,1-4H3,(H,25,26)(H,28,29)
InChIKeyRRGFOHMOEFRRDP-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.68
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71477777) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71477777
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c(C)c1
InChIInChI=1S/C24H24N4O3S/c1-14(2)32(30,31)18-8-6-17(7-9-18)21-13-26-23-22(27-21)19(12-25-23)24(29)28-20-10-5-15(3)11-16(20)4/h5-14H,1-4H3,(H,25,26)(H,28,29)
InChIKeyRRGFOHMOEFRRDP-UHFFFAOYSA-N
XLogP4.68
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-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-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71477777) is N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is RRGFOHMOEFRRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-14(2)32(30,31)18-8-6-17(7-9-18)21-13-26-23-22(27-21)19(12-25-23)24(29)28-20-10-5-15(3)11-16(20)4/h5-14H,1-4H3,(H,25,26)(H,28,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71477777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).