N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H28N4O4S — CID 71208662

IUPACN-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc([C@@H](CCO)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1
InChIInChI=1S/C26H28N4O4S/c1-16(2)35(33,34)20-10-8-19(9-11-20)23-15-28-25-24(29-23)21(14-27-25)26(32)30-22(12-13-31)18-6-4-17(3)5-7-18/h4-11,14-16,22,31H,12-13H2,1-3H3,(H,27,28)(H,30,32)/t22-/m1/s1
InChIKeyJGMOHCNCWTZNCQ-JOCHJYFZSA-N
MW492.60 g/mol
LogP3.97
Rot. Bonds8

About N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208662) has the molecular formula C26H28N4O4S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208662
Molecular FormulaC26H28N4O4S
Molecular Weight492.60 g/mol
Exact Mass492.18
IUPAC NameN-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc([C@@H](CCO)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1
InChIInChI=1S/C26H28N4O4S/c1-16(2)35(33,34)20-10-8-19(9-11-20)23-15-28-25-24(29-23)21(14-27-25)26(32)30-22(12-13-31)18-6-4-17(3)5-7-18/h4-11,14-16,22,31H,12-13H2,1-3H3,(H,27,28)(H,30,32)/t22-/m1/s1
InChIKeyJGMOHCNCWTZNCQ-JOCHJYFZSA-N
XLogP3.97
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-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-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208662) is N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc([C@@H](CCO)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)cc1.
What is the InChIKey of N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JGMOHCNCWTZNCQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N4O4S/c1-16(2)35(33,34)20-10-8-19(9-11-20)23-15-28-25-24(29-23)21(14-27-25)26(32)30-22(12-13-31)18-6-4-17(3)5-7-18/h4-11,14-16,22,31H,12-13H2,1-3H3,(H,27,28)(H,30,32)/t22-/m1/s1.
What are the key properties of N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).