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

C25H26N4O4S — CID 71208570

IUPACN-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](CCO)c4ccccc4)c3n2)cc1
InChIInChI=1S/C25H26N4O4S/c1-16(2)34(32,33)19-10-8-18(9-11-19)22-15-27-24-23(28-22)20(14-26-24)25(31)29-21(12-13-30)17-6-4-3-5-7-17/h3-11,14-16,21,30H,12-13H2,1-2H3,(H,26,27)(H,29,31)/t21-/m0/s1
InChIKeyNQIFZQXUMDBSNS-NRFANRHFSA-N
MW478.57 g/mol
LogP3.66
Rot. Bonds8

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

N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208570) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71208570
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N[C@@H](CCO)c4ccccc4)c3n2)cc1
InChIInChI=1S/C25H26N4O4S/c1-16(2)34(32,33)19-10-8-18(9-11-19)22-15-27-24-23(28-22)20(14-26-24)25(31)29-21(12-13-30)17-6-4-3-5-7-17/h3-11,14-16,21,30H,12-13H2,1-2H3,(H,26,27)(H,29,31)/t21-/m0/s1
InChIKeyNQIFZQXUMDBSNS-NRFANRHFSA-N
XLogP3.66
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-3-hydroxy-1-phenylpropyl]-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-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208570) is N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(1S)-3-hydroxy-1-phenylpropyl]-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)N[C@@H](CCO)c4ccccc4)c3n2)cc1.
What is the InChIKey of N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is NQIFZQXUMDBSNS-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-16(2)34(32,33)19-10-8-18(9-11-19)22-15-27-24-23(28-22)20(14-26-24)25(31)29-21(12-13-30)17-6-4-3-5-7-17/h3-11,14-16,21,30H,12-13H2,1-2H3,(H,26,27)(H,29,31)/t21-/m0/s1.
What are the key properties of N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-hydroxy-1-phenylpropyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).